Methyl 2-methylbenzoate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- below −50 °C
- Boiling point
- 215 °C
- logP
- 1.78Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
89-71-4SMILES
COC(=O)c1ccccc1CInChIKey
WVWZECQNFWFVFW-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzoic acid, 2-methyl-, methyl ester
- o-Toluic acid, methyl ester
- Methyl o-toluate
- Methyl o-methylbenzoate
- Methyl orthotoluate
- 2-Methylbenzoic acid methyl ester
- NSC 9402
- Methyl 2-toluate
- 2-Toluic acid methyl ester
Work with Methyl 2-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dimethyl phthalate131-11-373 % similar
2-Carbomethoxy-6-methylaniline22223-49-069 % similar
Methyl 2-bromo-3-methylbenzoate131001-86-067 % similar
Methyl o-cresotinate23287-26-567 % similar
Methyl 2-iodobenzoate610-97-965 % similar
Methyl 2-bromobenzoate610-94-661 % similar
Ethyl 2-methylbenzoate87-24-161 % similar
Methyl salicylate119-36-859 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds