Formula 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 |
Chemical Formula Description
The glycolic acid molecule contains a total of 9 atom(s). There are 4 Hydrogen atom(s), 2 Carbon atom(s), and 3 Oxygen atom(s). A chemical formula of glycolic acid can therefore be written as:
C2H4O3
The chemical formula of glycolic acid shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
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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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Structure Data File (SDF/MOL File) of glycolic acid
The structure data file (SDF/MOL File) of glycolic acid is available for download in the SDF page of glycolic acid providing the information about the atoms, bonds, connectivity and coordinates of glycolic acid, which is not completely available in the chemical formula representation. The glycolic acid structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of glycolic acid
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 in the chemical formula of glycolic acid 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 weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of glycolic acid.
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InChI (IUPAC International Chemical Identifier) information of glycolic acid
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of glycolic acid including the registry numbers is given 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 chemical formula of glycolic acid? |
|---|
| C2H4O3 |
| How many atoms and what are they in the glycolic acid structure? |
| 9 atom(s) - 4 Hydrogen atom(s), 2 Carbon atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what are they 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 molecular weight of glycolic acid? |
| 76.05136 g/mol |
| What’s the SMILES string of glycolic acid? |
| OCC(O)=O |
| What’s the InChI of glycolic acid? |
| InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) |
| What’s the InChIKey of glycolic acid? |
| AEMRFAOFKBGASW-UHFFFAOYSA-N |
3002
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).