SDF/Mol File of Acetic acid (C2H4O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Acetic acid Molecule

• Chemical structure of acetic acid

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of acetic acid is available in chemical structure page of acetic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of acetic acid

  The molecular weight of acetic acid is available in molecular weight page of acetic acid, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of acetic acid

  The chemical formula of acetic acid is given in chemical formula page of acetic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of acetic acid

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of acetic acid is:

  InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

  It can provide a standard way to encode the molecular information of acetic acid to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of acetic acid is:

  InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for acetic acid, but it needs to be linked to the full InChI to get back to the original structure of the acetic acid since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of acetic acid

  The acetic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of acetic acid including the registry numbers are listed below, if available:

  • BBV-201514
  • Acetic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.8-100.5%
  • Acetic acid, glacial, PharmaGrade, USP, JP, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.
  • Acetic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%
  • Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]
  • Acetic acid, Acculute Standard Volumetric Solution, Final Concentration 1.0N
  • Glacial acetic acid, United States Pharmacopeia (USP) Reference Standard
  • Glacial Acetic Acid, pharmaceutical secondary standard; traceable to USP
  • Acetic acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17926)
  • Acetic acid, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%

  • Acetic acid solution, with more than 10% and less than 50% acid, by mass
  • Acetic acid solution, not less than 50% but more than 80% acid, by mass
  • ACETIC ACID-1-13C, D4, 99 ATOM % 13C, 98 ATOM % D
  • Acetic acid, glacial or acetic acid solution, >80% acid, by mass
  • Acetic acid, for luminescence, BioUltra, >=99.5% (GC/T)
  • Acetic acid, >=99.7%, for titration in non-aqueous medium
  • Acetic acid, >=99.7%, suitable for amino acid analysis
  • I14-60089
  • Glacial acetic acid, meets USP testing specifications
  • Acetic acid solution, SAJ first grade, 27.0-33.0%

  • SR-01000944354-1
  • I04-9818
  • Acetic acid, Environmental, 99.0% min. 500ml
  • Acetic acid, >=99.7%, SAJ super special grade
  • A834671
  • D00010
  • Bifido Selective Supplement B, for microbiology
  • Acetic acid, Vetec(TM) reagent grade, >=99%
  • Acetic acid, UV HPLC spectroscopic, 99.9%
  • Y1308

  • E-260
  • E 260
  • Acetic acid, purified by double-distillation
  • Acetic acid, JIS special grade, >=99.7%
  • Acetic acid, >=99.99% trace metals basis
  • Acetic acid, SAJ first grade, >=99.0%
  • MO 08470
  • Acetic acid, 1.0N Standardized Solution
  • Acetic acid, 0.1N Standardized Solution
  • 834904-91-5

  • Acetic acid, USP, 99.5-100.5%
  • TRA-0196378
  • CAS-64-19-7
  • Acetic acid, ReagentPlus(R), >=99%
  • Acetic acid, natural, >=99.5%, FG
  • Acetic acid, >=99.5%, FCC, FG
  • UN 2789
  • Sodium acetate, anhydrous or trihydrate
  • RTR-021046
  • Acetic acid, for HPLC, >=99.8%

  • Acetic acid, Environmental Grade Plus
  • Acetic acid, 4% v/v aqueous solution
  • Acetic acid, 1% v/v aqueous solution
  • TCLP extraction fluid 2 (Salt/Mix)
  • LMFA01010002
  • BDBM50074329
  • ANW-44008
  • ANW-41557
  • Acetic acid, glacial, >=99.85%
  • Acetic acid, puriss., 99-100%

  • Acetic acid, Glacial, ACS Reagent
  • Acetic acid, 99.5-100.0%
  • Acetic acid solution, 1 M, 1 N
  • Q40Q9N063P
  • Acetic Acid, Glacial Reagent ACS
  • Acetic acid, LR, >=99.5%
  • ACETIC ACID, GLACIAL, ACS
  • Acetic acid, AR, >=99.8%
  • Acetic acid, 99.8%, anhydrous
  • Acetic acid, puriss., >=80%

  • HMDB00042
  • Acetic acid, Environmental Grade
  • Acetic acid, analytical standard
  • Acetic acid solution, for HPLC
  • Somatoliberin (human pancreatic islet), acetate (salt)
  • GTPL1058
  • INS No. 260
  • UN 2790 (Salt/Mix)
  • Glacial acetic acid (JP17)
  • Acetic acid, glacial (USP)

  • Acetic acid (JP17/NF)
  • Otic Domeboro (Salt/Mix)
  • bmse000857
  • bmse000817
  • bmse000191
  • Acetic acid, ACS reagent
  • CH3CO2H
  • METHYL, CARBOXY-
  • Acetic Acid (Recovered)
  • CH3COOH

  • Acetic acid 0.25% in plastic container
  • methane carboxylic acid
  • Undiluted Acetic Acid
  • MeCO2H
  • Acetic acid, propionic acid distillate
  • Vinegar (Salt/Mix)
  • Acetic Acid Natural
  • MeCOOH
  • Acetic acid, glacial [USAN:JAN]
  • Acetasol (TN)

  • Nat. Acetic Acid
  • Methanecarboxylate
  • acetic acid-
  • acetic -acid
  • Somatorelin acetate [WHO-DD]
  • Glacial Acetic
  • Glacial acetate
  • acetic-acid
  • Volsol
  • Ethylate

  • Somatorelin acetate [JAN]
  • Carboxylic acids, C2-3
  • ACY
  • 77671-22-8
  • Somatorelin acetate
  • Acetic acid, ACS reagent, >=99.7%
  • Grf sumitomo
  • Ghrh acetate
  • Orlex
  • Somatrel

  • Acetic acid, aqueous solution
  • 68475-71-8
  • Acetic acid, >=99.7%
  • Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]
  • Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]
  • Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]
  • E260
  • C2:0
  • Acetic acid [JAN]
  • Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid

  • Acetic acid, diluted
  • MFCD00036152
  • Shotgun
  • Carboxymethyl Group
  • 10.Methanecarboxylic acid
  • CH3-COOH
  • FEMA No. 2006
  • Vosol
  • EPA Pesticide Chemical Code 044001
  • Otic Domeboro

  • FEMA Number 2006
  • ethoic acid
  • aceticacid
  • Acetic acid, water solutions
  • Vinegar
  • HOAc
  • AcOH
  • Kyselina octova [Czech]
  • Acido acetico [Italian]
  • Acide acetique [French]

  • Acetic acid (natural)
  • Octowy kwas [Polish]
  • Caswell No. 003
  • Essigsaeure [German]
  • acetyl alcohol
  • Ethanoic acid monomer
  • Azijnzuur [Dutch]
  • Pyroligneous acid
  • Octowy kwas
  • Kyselina octova

  • Acido acetico
  • Azijnzuur
  • Aci-jel
  • Acide acetique
  • Essigsaeure
  • Acetasol
  • Acetic acid glacial
  • Glacial acetic acid
  • Methanecarboxylic acid
  • Acetic acid, glacial

  • Vinegar acid
  • 64-19-7
  • Ethylic acid
  • ethanoic acid

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Acetic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the acetic acid formula?
C2H4O2
How many atoms and what elements are included in the acetic acid molecule?
8 atom(s) - 4 Hydrogen atom(s), 2 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the acetic acid structure?
7 bond(s) - 3 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s)
What’s the acetic acid’s molar mass?
60.05196 g/mol
What’s the SMILES structure of acetic acid?
CC(O)=O
What’s the InChI code of acetic acid?
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
What’s the InChIKey format of acetic acid?
QTBSBXVTEAMEQO-UHFFFAOYSA-N

2491 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).