p-Tolylacetic acid
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 93 °C
- Boiling point
- 265 °C
- logP
- 1.62Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
622-47-9SMILES
Cc1ccc(CC(=O)O)cc1InChIKey
GXXXUZIRGXYDFP-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)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
9 names
- Benzeneacetic acid, 4-methyl-
- Acetic acid, p-tolyl-
- 4-Methylbenzeneacetic acid
- (4-Methylphenyl)acetic acid
- p-Methylphenylacetic acid
- 2-p-Tolylacetic acid
- 4-Tolylacetic acid
- NSC 65595
- 2-(4-Methylphenyl)acetic acid
Work with p-Tolylacetic 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
1,4-Benzenediacetic acid7325-46-475 % similar
3-(P-Tolyl)propionic acid1505-50-669 % similar
3,5-Dimethylphenylacetic acid42288-46-066 % similar
4-Methylbenzenebutanoic acid4521-22-665 % similar
(3-Methylphenyl)acetic acid621-36-363 % similar
4-Hydroxyphenylacetic acid156-38-762 % similar
4-(Hydroxymethyl)phenylacetic acid73401-74-862 % similar
Phenylacetic acid103-82-261 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.