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(2R)-2-(Phenoxymethyl)Oxirane
CAS: 71031-02-2 | C9H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71031-02-2
Molecular Formula:
C9H10O2
Molecular Mass:
150.18 g/mol
Names and Synonyms:
(2R)-2-(Phenoxymethyl)Oxirane
Oxirane, 2-(phenoxymethyl)-, (2R)-
Oxirane, (phenoxymethyl)-, (R)-
Oxirane, (phenoxymethyl)-, (2R)-
(2R)-2-(Phenoxymethyl)oxirane
(R)-Phenyl glycidyl ether
(R)-(-)-3-(Phenyloxy)-1,2-epoxypropane
(R)-Phenoxymethyloxirane
(R)-Glycidyl phenyl ether
(R)-2-(Phenoxymethyl)oxirane
(2R)-2-(Phenoxymethyl)oxirane
(R)-2-(Phenoxymethyl)oxirane
Identifiers:
SMILES:
c1ccc(OC[C@H]2CO2)cc1
InChI:
InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m0/s1
Key Properties
Boiling Point
85-86 °C @ Press: 0.8 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 | 150.18 g/mol | CAS Common Chemistry |
| 150.177 g/mol | RDKit | |
| 150.06807956 g/mol | RDKit | |
| Boiling Point | 85-86 °C @ Press: 0.8 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)CC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FQYUMYWMJTYZTK-VIFPVBQESA-N | CAS Common Chemistry |
| Name | (2R)-2-(Phenoxymethyl)oxirane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| LogP | 1.4641999999999997 | RDKit |
| Molar Refractivity | 41.67700000000003 | RDKit |
