SDF/Mol File of Acetaldehyde (C2H4O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Acetaldehyde Molecule

• Chemical structure of acetaldehyde

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

• Molecular weight of acetaldehyde

  The molecular weight of acetaldehyde is available in molecular weight page of acetaldehyde, 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 acetaldehyde

  The chemical formula of acetaldehyde is given in chemical formula page of acetaldehyde, 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 acetaldehyde

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

  InChI=1S/C2H4O/c1-2-3/h2H,1H3

  It can provide a standard way to encode the molecular information of acetaldehyde 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 acetaldehyde is:

  InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N

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

• Other names (synonyms) or registry numbers of acetaldehyde

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

  • BBV-46883617
  • Acetaldehyde-d4
  • Acetaldehyde solution, natural, 50 wt. % in ethanol, analytical standard
  • I14-113209
  • F2190-0651
  • Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC)
  • Acetaldehyde solution, natural, 50 wt. % ethanol, FG
  • I14-57914
  • BRD-K77914232-001-01-3
  • Acetaldehyde solution, natural, 50 wt. % in ethanol

  • I14-6219
  • A838317
  • Acetaldehyde, ReagentPlus(R), >=99.0% (GC)
  • Acetaldehyde solution, 40 wt. % in isopropanol
  • Acetaldehyde solution, 50 wt. % (triacetin)
  • Acetaldehyde solution, 50 wt. % in ethanol
  • Acetaldehyde [UN1089] [Flammable liquid]
  • Acetaldehyde, SAJ first grade, >=90.0%
  • Acetaldehyde [UN1089] [Flammable liquid]
  • Acetaldehyde solution, 40 wt. % in H2O

  • Acetaldehyde, >=99%, FCC, stabilized
  • CAS-75-07-0
  • Acetaldehyde, ACS reagent, >=99.5%
  • UN 1089
  • RTR-024198
  • Acetaldehyde, ReagentPlus(R), 99%
  • Acetaldehyde, natural, >=99%, FG
  • Acetaldehyde solution, 5 M in THF
  • LTBB001460
  • HMDB00990

  • Acetaldehyde, analytical standard
  • GTPL6277
  • Acetaldehyde, >=99%, FCC
  • Acetaldehyde, 98% 100ml
  • BIDD:ER0621
  • Acetaldehyde, >=99%, FG
  • an oxidized polyvinyl alcohol
  • oxidised poly(vinyl alcohol)
  • Epitope ID:145667
  • bmse000647

  • GO1N1ZPR3B
  • Oxidized polyvinyl alcohol
  • ACETALDEHYDE, ACS
  • NATURAL ALDEFRESH
  • CH3CHO
  • CH2CHO
  • QMHAIX@
  • Acetaldehyde polymerized
  • ACETALD
  • Aldehyde C(2)

  • Acetaldehyde Natural
  • Acetaldehyde 10%
  • ethan-1-one
  • acetic hydride
  • Acetan
  • Ethylaldehyde
  • Aceticaldehyde
  • Aceteldehyde
  • Acetaldeyde
  • acetoaldehyde

  • Acetaldehyde, >=99%, meets FCC analytical specification
  • MFCD00006991
  • 1-oxapropylene
  • RCRA waste no. U001
  • ACETYL GROUP
  • FEMA No. 2003
  • ethanone
  • Aldehyde acetique [French]
  • Aldeide acetica [Italian]
  • Octowy aldehyd [Polish]

  • ethaldehyde
  • Acetaldehyd [German]
  • Acetaldehyde (natural)
  • RCRA waste number U001
  • Azetaldehyd
  • acetaldehydes
  • Aldehyde acetique
  • Octowy aldehyd
  • Aldeide acetica
  • Acetic ethanol

  • aldehyde
  • Acetylaldehyde
  • Acetaldehyd
  • 75-07-0
  • ethyl aldehyde
  • acetic aldehyde
  • ethanal

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Acetaldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the acetaldehyde formula?
C2H4O
How many atoms and what elements are included in the acetaldehyde molecule?
7 atom(s) - 4 Hydrogen atom(s), 2 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the acetaldehyde structure?
6 bond(s) - 2 non-H bond(s), 1 multiple bond(s), 1 double bond(s), and 1 aldehyde(s) (aliphatic)
What’s the acetaldehyde’s molar mass?
44.05256 g/mol
What’s the SMILES structure of acetaldehyde?
CC=O
What’s the InChI code of acetaldehyde?
InChI=1S/C2H4O/c1-2-3/h2H,1H3
What’s the InChIKey format of acetaldehyde?
IKHGUXGNUITLKF-UHFFFAOYSA-N

1088 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).