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Molecule
Glycolic Acid
CAS: 79-14-1 · C2H4O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79-14-1
- Molecular Formula
- C2H4O3
- Molecular Mass
- 76.05 g/mol
Identifiers
CAS Registry Number
79-14-1
SMILES
O=C(O)CO
InChI Key
AEMRFAOFKBGASW-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Names and Synonyms
- Glycolic Acid Common Name
- Acetic acid, 2-hydroxy- Synonym
- Glycolic acid Synonym
- Acetic acid, hydroxy- Synonym
- 2-Hydroxyacetic acid Synonym
- Hydroxyacetic acid Synonym
- Hydroxyethanoic acid Synonym
- α-Hydroxyacetic acid Synonym
- Glycocide Synonym
- GlyPure Synonym
- GlyPure 70 Synonym
- NSC 166 Synonym
- 2-Hydroxyethanoic acid Synonym
- GlyPure 99 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.05 g/mol | CAS Common Chemistry |
| 76.051 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.49 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycolic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80 °C | CAS Common Chemistry |
| Name | Glycolic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.9367000000000001 | RDKit |
| -0.9367 | RDKit | |
| Molar Refractivity | 14.7216 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 76.01604398799999 g/mol | RDKit |
| Boiling Point | 104 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 76.05 g/mol; density = 1.490 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H4O3.
