Methyl m-methoxybenzoate
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Boiling point
- 248 °C
- logP
- 1.48Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Identifiers
CAS number
5368-81-0SMILES
COC(=O)c1cccc(OC)c1InChIKey
DUKYPQBGYRJVAN-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzoic acid, 3-methoxy-, methyl ester
- m-Anisic acid, methyl ester
- Benzoic acid, m-methoxy-, methyl ester
- Methyl 3-methoxybenzoate
- m-Methoxybenzoic acid methyl ester
- Methyl m-anisate
- 3-Methoxybenzoic acid methyl ester
- NSC 100922
Work with Methyl m-methoxybenzoate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dimethyl isophthalate1459-93-472 % similar
Methyl 3,5-dimethoxybenzoate2150-37-068 % similar
m-Chlorobenzoic acid methyl ester2905-65-962 % similar
Methyl m-fluorobenzoate455-68-562 % similar
3-Methoxyacetophenone586-37-862 % similar
Methyl 3-bromobenzoate618-89-362 % similar
Methyl m-toluate99-36-562 % similar
3-Methoxybenzoyl chloride1711-05-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds