3-(4-Carboxyphenyl)propionic acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- logP
- 1.40Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 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
38628-51-2SMILES
C1=CC(=CC=C1CCC(=O)O)C(=O)OInChIKey
QSPCOYVUYYFWAU-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(4-Carboxyphenyl)propionic acid
Similar compounds
1,4-Benzenedipropanoic acid4251-21-273 % similar
4-Carboxybenzeneacetic acid501-89-370 % similar
Phloretic acid501-97-361 % similar
Phenylpropanoic acid501-52-060 % similar
3-(P-Tolyl)propionic acid1505-50-659 % similar
3-(4-Iodophenyl)propionic acid1643-29-459 % similar
3-(4-Bromophenyl)propionic acid1643-30-759 % similar
3-(4-Chlorophenyl)propanoic acid2019-34-359 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.