3-(3-Methylphenyl)propionic acid
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- logP
- 2.01Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed88.9% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H318 Causes serious eye damage88.9% of notifiers
- H319 Causes serious eye irritation11.1% of notifiers
- H335 May cause respiratory irritation11.1% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3751-48-2SMILES
CC1=CC(=CC=C1)CCC(=O)OInChIKey
VWXVTHDQAOAENP-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(3-Methylphenyl)propionic acid
Similar compounds
(3-Methylphenyl)acetic acid621-36-371 % similar
Phenylpropanoic acid501-52-068 % similar
3-(P-Tolyl)propionic acid1505-50-667 % similar
3-(3-Aminophenyl)propionic acid1664-54-664 % similar
3-(3-Chlorophenyl)propanoic acid21640-48-264 % similar
3-(3-Fluorophenyl)propionic acid458-45-764 % similar
3-(3'-Hydroxyphenyl)propionic acid621-54-564 % similar
3-(3-Bromophenyl)propionic acid42287-90-162 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.