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(+)-Glycidol
CAS: 57044-25-4 | C3H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57044-25-4
Molecular Formula:
C3H6O2
Molecular Mass:
74.08 g/mol
Names and Synonyms:
(+)-Glycidol
2-Oxiranemethanol, (2R)-
Oxiranemethanol, (R)-
Oxiranemethanol, (2R)-
(2R)-2-Oxiranemethanol
2,3-Anhydro-sn-glycerol
(+)-Glycidol
(+)-2,3-Epoxy-1-propanol
(R)-(+)-Glycidol
2(R)-2,3-Epoxypropanol
(R)-Glycidol
(R)-2-Oxiranemethanol
R-Glycidyl alcohol
(2R)-2-Oxiranylmethanol
(R)-2-Oxiranemethanol
(R)-Oxiran-2-ylmethanol
(R)-Oxiran-2-ylmethanol
2-Oxiranemethanol (2R)-
Identifiers:
SMILES:
OC[C@@H]1CO1
InChI:
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m1/s1
Key Properties
Boiling Point
70 °C @ Press: 15 Torr
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 | 74.08 g/mol | CAS Common Chemistry |
| 74.07900000000001 g/mol | RDKit | |
| 74.036779432 g/mol | RDKit | |
| Boiling Point | 70 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CTKINSOISVBQLD-GSVOUGTGSA-N | 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 | RDKit |
