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Molecule
(-)-Glycidol
CAS: 60456-23-7 · C3H6O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60456-23-7
- Molecular Formula
- C3H6O2
- Molecular Mass
- 74.08 g/mol
Identifiers
CAS Registry Number
60456-23-7
SMILES
OC[C@H]1CO1
InChI Key
CTKINSOISVBQLD-VKHMYHEASA-N
InChI
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.08 g/mol | CAS Common Chemistry |
| 74.07900000000001 g/mol | RDKit | |
| 74.079 g/mol | RDKit | |
| Canonical SMILES | OCC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CTKINSOISVBQLD-VKHMYHEASA-N | CAS Common Chemistry |
| Melting Point | 72-73 °C | CAS Common Chemistry |
| Name | (-)-Glycidol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.76 Ų | RDKit |
| LogP | -0.6225 | RDKit |
| Molar Refractivity | 16.8258 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 74.036779432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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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MW = 74.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O2.
