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(-)-Glycidol
CAS: 60456-23-7 | C3H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60456-23-7
Molecular Formula:
C3H6O2
Molecular Weight:
74.07900000000001 g/mol
Names and Synonyms:
(-)-Glycidol
Synonym
2-Oxiranemethanol, (2S)-
Synonym
Oxiranemethanol, (S)-
Synonym
Oxiranemethanol, (2S)-
Synonym
(2S)-2-Oxiranemethanol
Synonym
(-)-D-Glycidol
Synonym
(S)-Glycidol
Synonym
(-)-Glycidol
Synonym
(-)-2,3-Epoxy-1-propanol
Synonym
(S)-(-)-Oxiranemethanol
Synonym
(S)-(-)-Glycidol
Synonym
S-Glycidyl alcohol
Synonym
(S)-Oxiran-2-ylmethanol
Synonym
(2S)-2-Oxiranylmethanol
Synonym
(S)-2-Oxiranemethanol
Synonym
2-Oxiranemethanol (2S)-
Synonym
Identifiers:
SMILES:
OC[C@H]1CO1
InChI:
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 74.07900000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 74.036779432 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 | 1 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 | 32.76 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6225 | RDKit |
| molecular_mass | 74.08 g/mol | Legacy Database |
| cas-canonical-smile | OCC1OC1 None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CTKINSOISVBQLD-VKHMYHEASA-N None | Legacy Database |
| cas-melting-point | 72-73 °C None | Legacy Database |
| cas-name | (-)-Glycidol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.8258 | RDKit |