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2-[(2-Methoxyphenoxy)Methyl]Oxirane
CAS: 2210-74-4 | C10H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2210-74-4
Molecular Formula:
C10H12O3
Molecular Mass:
180.20 g/mol
Names and Synonyms:
2-[(2-Methoxyphenoxy)Methyl]Oxirane
Oxirane, 2-[(2-methoxyphenoxy)methyl]-
Benzene, 1-(2,3-epoxypropoxy)-2-methoxy-
Oxirane, [(2-methoxyphenoxy)methyl]-
2-[(2-Methoxyphenoxy)methyl]oxirane
1-(2-Methoxyphenoxy)-2,3-epoxypropane
Glycidyl 2-methoxyphenyl ether
1,2-Epoxy-3-(2-methoxyphenoxy)propane
2-Methoxyphenyl glycidyl ether
1,2-Epoxy-3-(o-methoxyphenoxy)propane
2-(2,3-Epoxypropoxy)anisole
2-Methoxy-1-(oxiranylmethoxy)benzene
NSC 112256
NSC 133442
Glycidyl o-methoxyphenyl ether
1-(2,3-Epoxypropoxy)-2-methoxybenzene
Identifiers:
SMILES:
COc1ccccc1OCC1CO1
InChI:
InChI=1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3
Key Properties
Boiling Point
88-90 °C @ Press: 0.05 Torr
CAS Common Chemistry
Melting Point
36 °C
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 | 180.20 g/mol | CAS Common Chemistry |
| 180.20299999999995 g/mol | RDKit | |
| 180.078644244 g/mol | RDKit | |
| Boiling Point | 88-90 °C @ Press: 0.05 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1OCC2OC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RJNVSQLNEALZLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 36 °C | CAS Common Chemistry |
| Name | 2-[(2-Methoxyphenoxy)methyl]oxirane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.990000000000002 Ų | RDKit |
| LogP | 1.4728 | RDKit |
| Molar Refractivity | 48.22900000000003 | RDKit |
