Methyl o-anisate
Structural formula
| Business number | 069B |
|---|---|
| Molecular formula | C9H10O3 |
| Molecular weight | 166.18 |
| label |
Methyl o-methoxybenzoate, 2-Methoxybenzoate methyl ester, Methyl-2-methoxybenzyl ester, Methyl 2-methoxybenzoate, CH3OC6H4CO2CH3 |
Numbering system
CAS number:606-45-1
MDL number:MFCD00008423
EINECS number:210-118-6
RTECS number:DH3549000
BRN number:2207356
PubChem number:24901281
Physical property data
Physical property data:
1. Density (g/mL ,25/4℃): 1.157
2. Refractive index (nD20): 1.532-1.534
3. Flashpoint (℃):113
4. Boiling point (ºC): 246-248
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data: 1, Molar refractive index:44.70 2, Molar volume (m3/mol):151.3 3, Isotonic specific volume (90.2K ):368.7 4, Surface tension (dyne/ cm):35.2 5、 Polarizability (10-24cm3): 17.72
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: None
6. Topological molecule polar surface area 35.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 156
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10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None yet
