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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 Mass:
76.05 g/mol
Names and Synonyms:
Glycolic Acid
Acetic acid, 2-hydroxy-
Glycolic acid
Acetic acid, hydroxy-
2-Hydroxyacetic acid
Hydroxyacetic acid
Hydroxyethanoic acid
α-Hydroxyacetic acid
Glycocide
GlyPure
GlyPure 70
NSC 166
2-Hydroxyethanoic acid
GlyPure 99
Identifiers:
SMILES:
O=C(O)CO
InChI:
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Key Properties
Boiling Point
104 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
80 °C
CAS Common Chemistry
Density
1.49 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.05 g/mol | CAS Common Chemistry |
| 76.051 g/mol | RDKit | |
| 76.01604398799999 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.49 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycolic_acid | CAS Common Chemistry |
| Boiling Point | 104 °C @ Press: 10 Torr | 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 |
| Molar Refractivity | 14.7216 | RDKit |
