3-(1-Naphthyl)-propionic acid
Properties
- Molecular formula
- C13H12O2
- Molar mass
- 200.24 g/mol
- Exact mass
- 200.0837 Da
- logP
- 2.86Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage14.3% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 7 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3243-42-3SMILES
C1=CC=C2C(=C1)C=CC=C2CCC(=O)OInChIKey
PRLKVVMRQFFIOQ-UHFFFAOYSA-NInChI
InChI=1S/C13H12O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-Naphthalenepropionic acid
Work with 3-(1-Naphthyl)-propionic acid
Similar compounds
1-Naphthaleneacetic acid86-87-370 % similar
3-(2-Chlorophenyl)propionic acid1643-28-363 % similar
3-(2-Bromophenyl)propionic acid15115-58-960 % similar
Melilotic acid495-78-360 % similar
(βR)-β-Amino-1-naphthalenebutanoic acid269398-88-159 % similar
3-(2-Fluorophenyl)propionic acid1643-26-158 % similar
3-(2-Methylphenyl)propionic acid22084-89-558 % similar
4-Naphthalen-1-yl-4-oxo-butyric acid4653-13-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.