Methyl anisate
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 49 °C
- Boiling point
- 256 °C
- logP
- 1.48Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Not classified as hazardous under GHS by 170 ECHA notifiers. Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
121-98-2SMILES
COC(=O)c1ccc(OC)cc1InChIKey
DDIZAANNODHTRB-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzoic acid, 4-methoxy-, methyl ester
- p-Anisic acid, methyl ester
- Methyl p-methoxybenzoate
- Methyl p-anisate
- Methyl 4-methoxybenzoate
- p-Methoxybenzoic acid methyl ester
- 4-Methoxybenzoic acid methyl ester
- 4-(Methoxycarbonyl)anisole
- NSC 7324
Work with Methyl anisate
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 terephthalate120-61-675 % similar
p-Anisic anhydride794-94-574 % similar
4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-567 % similar
Methyl 3,5-dimethoxybenzoate2150-37-066 % similar
Methyl 4-ethoxybenzoate23676-08-663 % similar
Methyl 4-acetoxybenzoate24262-66-663 % similar
Methyl m-methoxybenzoate5368-81-063 % similar
Ethyl 4-methoxybenzoate94-30-463 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.