Methyl m-toluate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Density
- 1.0473 g/mL (at 40 °C)
- Boiling point
- 221 °C
- logP
- 1.78Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
99-36-5SMILES
COC(=O)c1cccc(C)c1InChIKey
CPXCDEMFNPKOEF-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzoic acid, 3-methyl-, methyl ester
- m-Toluic acid, methyl ester
- Methyl 3-methylbenzoate
- Methyl m-methylbenzoate
- Methyl 3-toluate
- NSC 20004
- NSC 69227
- 3-Methylbenzoic acid methyl ester
- Methyl 2-methyl-4-benzoate
Work with Methyl m-toluate
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 isophthalate1459-93-475 % similar
Methyl benzoate93-58-366 % similar
m-Chlorobenzoic acid methyl ester2905-65-964 % similar
Methyl m-fluorobenzoate455-68-564 % similar
Methyl 3-bromobenzoate618-89-364 % similar
Ethyl 3-methylbenzoate120-33-263 % similar
Methyl 3-hydroxybenzoate19438-10-962 % similar
Methyl 3-aminobenzoate4518-10-962 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds