(3-Methylphenyl)acetic acid
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 62 °C
- Boiling point
- 120–123 °C
- logP
- 1.62Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
621-36-3SMILES
Cc1cccc(CC(=O)O)c1InChIKey
GJMPSRSMBJLKKB-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Benzeneacetic acid, 3-methyl-
- 2-(3-Methylphenyl)acetic acid
- m-Methylbenzeneacetic acid
- 2-(m-Tolyl)acetic acid
- Acetic acid, m-tolyl-
- 3-Methylbenzeneacetic acid
- m-Tolylacetic acid
- m-Methylphenylacetic acid
- 3-Tolylacetic acid
- NSC 76090
Work with (3-Methylphenyl)acetic acid
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
1,3-Benzenediacetic acid19806-17-872 % similar
Phenylacetic acid103-82-263 % similar
P-Tolylacetic acid622-47-963 % similar
(3-Chlorophenyl)acetic acid1878-65-562 % similar
3-Fluorophenylacetic acid331-25-962 % similar
3′-Hydroxyphenylacetic acid621-37-462 % similar
(3-Aminophenyl)acetic acid14338-36-460 % similar
3-Bromophenylacetic acid1878-67-760 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds