chempirical

Methyl 3-methoxy-4-methylbenzoate

C10H12O3CAS 3556-83-0180.20 g/mol

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EsterEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
46–48 °C
Boiling point
138–142 °C (at 20 Torr)
logP
1.79Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
3556-83-0
SMILES
COC(=O)c1ccc(C)c(OC)c1
InChIKey
LLEXCSBUSVRBCA-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)6-9(7)12-2/h4-6H,1-3H3

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Names and synonyms

4 names
  • Benzoic acid, 3-methoxy-4-methyl-, methyl ester
  • m-Anisic acid, 4-methyl-, methyl ester
  • 3-Methoxy-4-methylbenzoic acid methyl ester
  • Methyl 4-methyl-3-(methyloxy)benzoate

Work with Methyl 3-methoxy-4-methylbenzoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3,4-dimethoxybenzoate2150-38-173 % similar Methyl 3,4-dimethylbenzoate38404-42-170 % similar Methyl 3-amino-4-methylbenzoate18595-18-167 % similar Methyl 4-amino-3-methoxybenzoate41608-64-467 % similar Methyl vanillate3943-74-665 % similar Methyl 3-bromo-4-methylbenzoate104901-43-162 % similar Methyl 4-amino-3-methylbenzoate18595-14-762 % similar Methyl 3-amino-4-methoxybenzoate24812-90-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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