SDF/Mol File of Glycolic acid (C2H4O3)
Identification of Glycolic acid Chemical Compound
| Chemical Formula | C2H4O3 |
|---|---|
| Molecular Weight | 76.05136 g/mol |
| IUPAC Name | 2-hydroxyacetic acid |
| SMILES String | OCC(O)=O |
| InChI | InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) |
| InChIKey | AEMRFAOFKBGASW-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of glycolic acid is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of glycolic acid molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Search Another SDF·MOL File
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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Glycolic acid Molecule
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Chemical structure of glycolic acid
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of glycolic acid is available in chemical structure page of glycolic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of glycolic acid
The molecular weight of glycolic acid is available in molecular weight page of glycolic acid, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of glycolic acid
The chemical formula of glycolic acid is given in chemical formula page of glycolic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of glycolic acid
An alternative way of expressing structural information in text format is InChI. The full standard InChI of glycolic acid is:
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
It can provide a standard way to encode the molecular information of glycolic 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 glycolic acid is:
InChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N
The InChIKey may allow easier web searches for glycolic acid, but it needs to be linked to the full InChI to get back to the original structure of the glycolic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of glycolic acid
The glycolic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of glycolic acid including the registry numbers are listed below, if available:
- EN300-19242
- BBV-39824206
- ZX-AS004398
- BBC/181
- 702627-33-6
- 1033720-48-7
- 1033720-45-4
- ALPHA/BETA HYDROXY ACIDS (GLYCOLIC ACID) (SEE ALSO ALPHA/BETA HYDROXY ACIDS)
- Glycolic acid, anhydrous, free-flowing, Redi-Dri(TM), ReagentPlus(R), 99%
- Glycolic acid, certified reference material, TraceCERT(R)
- Glycolic acid solution, technical grade, 70 wt. % in H2O
- 287EB351-FF9F-4A67-B4B9-D626406C9B13
- Z1259155884
- Glycolic acid solution, high purity, 70 wt. % in H2O
- F2191-0224
- J-509661
- I04-1094
- Glycolic acid solution, technical, ~55% in H2O
- Glycolic acid, BioXtra, >=98.0% (titration)
- M-7418
- Glycolic acid, Vetec(TM) reagent grade, 98%
- Glycolic Acid, pharmaceutical secondary standard
- Glycolic acid, SAJ special grade, >=98.0%
- G0196
- G0110
- 25904-89-6 (unspecified potassium salt)
- Glycolic acid solution, CP, 70% in H2O
- K398
- 2836-32-0 (mono-hydrochloride salt)
- TRA-0184681
- CAS-79-14-1
- RTR-037849
- Glycolic acid solution, puriss., 70%
- 35249-89-9 (mono-ammonium salt)
- Glycolic acid, ReagentPlus(R), 99%
- 39663-84-8 (mono-lithium salt)
- 1932-50-9 (mono-potassium salt)
- ANW-37261
- Glycolic acid, >=97.0% (T)
- Glycolic acid solution, 56-58%
- HMDB00115
- Acetic acid, hydroxy- (9CI)
- 0WT12SX38S
- Glycolic acid, p.a., 98%
- ETHYLDIOXY, 2-OXO-
- GLYCOLIC ACID, CRYST
- Glycolic acid (7CI,8CI)
- bmse000245
- Glycolic acid, polyesters
- 2-hydroxyl ethanoic acid
- omega-Hydroxy fatty acid
- 2-hydroxy-acetic acid
- 2-hydroxy acetic acid
- Glycolic Acid 70%
- a-Hydroxyacetic acid
- hydroxyl acetic acid
- alpha-Hydroxyacetate
- hydroxy-acetic acid
- Dicarbonous acid
- a-Hydroxyacetate
- Hydroxyethanoate
- Hydroxyacetic acid homopolymer
- Polyglycolide
- Glycolic acid homopolymer
- Poly(L-glycolic acid)
- 259744-22-4
- Dexon (polyester)
- GOA
- 26124-68-5
- 26009-03-0
- Polyglycollic acid
- Glycolic acid-13C2
- MFCD00004312
- Acetic acid, 2-hydroxy-, homopolymer
- .alpha.-Hydroxyacetic acid
- Acetic acid, 2-hydroxy-
- Acetic acid, hydroxy-, homopolymer
- 2-Hydroxyethanoic acid
- C2H4O3
- GLYCOLLATE
- GlyPure 70
- GlyPure
- EPA Pesticide Chemical Code 000101
- POLYGLYCOLIC ACID
- alpha-Hydroxyacetic acid
- Glycocide
- Kyselina hydroxyoctova [Czech]
- HOCH2COOH
- glycolicacid
- Kyselina hydroxyoctova
- Kyselina glykolova [Czech]
- Kyselina glykolova
- Caswell No. 470
- glycolate
- Acetic acid, hydroxy-
- Glycollic acid
- Hydroxyethanoic acid
- 79-14-1
- hydroxyacetic acid
- glycolic acid
- ARONIS23902
Glycolic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the glycolic acid formula? |
|---|
| C2H4O3 |
| How many atoms and what elements are included in the glycolic acid molecule? |
| 9 atom(s) - 4 Hydrogen atom(s), 2 Carbon atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the glycolic acid structure? |
| 8 bond(s) - 4 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 primary alcohol(s) |
| What’s the glycolic acid’s molar mass? |
| 76.05136 g/mol |
| What’s the SMILES structure of glycolic acid? |
| OCC(O)=O |
| What’s the InChI code of glycolic acid? |
| InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) |
| What’s the InChIKey format of glycolic acid? |
| AEMRFAOFKBGASW-UHFFFAOYSA-N |
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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).