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Glycolic Acid
CAS: 79-14-1 | C2H4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-14-1
Molecular Formula:
C2H4O3
Molecular Weight:
76.051 g/mol
Names and Synonyms:
Glycolic Acid
Common Name
GlyPure 99
Synonym
2-Hydroxyethanoic acid
Synonym
NSC 166
Synonym
GlyPure 70
Synonym
GlyPure
Synonym
Glycocide
Synonym
α-Hydroxyacetic acid
Synonym
Hydroxyethanoic acid
Synonym
Hydroxyacetic acid
Synonym
2-Hydroxyacetic acid
Synonym
Acetic acid, hydroxy-
Synonym
Glycolic acid
Synonym
Acetic acid, 2-hydroxy-
Synonym
Identifiers:
SMILES:
O=C(O)CO
InChI:
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 76.05 g/mol | Legacy Database |
| density | 1.49 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glycolic_acid None | Legacy Database |
| cas-boiling-point | 104 °C @ Press: 10 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)CO None | Legacy Database |
| cas-density | 1.49 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 80 °C None | Legacy Database |
| cas-name | Glycolic acid None | Legacy Database |
| wikipedia-name | Glycolic acid None | Legacy Database |
| LogP | -0.9367000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 76.051 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 76.01604398799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.7216 | RDKit |