Methyl P-toluate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Density
- 1.058 g/mL (at 25 °C)
- Melting point
- 33.2 °C
- Boiling point
- 222.5 °C
- logP
- 1.78Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
99-75-2SMILES
COC(=O)c1ccc(C)cc1InChIKey
QSSJZLPUHJDYKF-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)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
11 names
- Benzoic acid, 4-methyl-, methyl ester
- p-Toluic acid, methyl ester
- p-Carbomethoxytoluene
- Methyl 4-toluate
- Methyl 4-methylbenzoate
- Methyl p-methylbenzoate
- 4-(Methoxycarbonyl)toluene
- 4-Methylbenzoic acid methyl ester
- Methyl p-toluenecarboxylate
- p-(Methoxycarbonyl)toluene
- NSC 24761
Work with Methyl P-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 terephthalate120-61-678 % similar
4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-569 % similar
Methyl benzoate93-58-363 % similar
Methyl 4-chlorobenzoate1126-46-162 % similar
Methyl anisate121-98-262 % similar
Methyl 4-fluorobenzoate403-33-862 % similar
Methyl 4-bromobenzoate619-42-162 % similar
Methyl 4-iodobenzoate619-44-362 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds