4-Naphthalen-1-yl-4-oxo-butyric acid
Properties
- Molecular formula
- C14H12O3
- Molar mass
- 228.25 g/mol
- Exact mass
- 228.0786 Da
- logP
- 2.89Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4653-13-8SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)CCC(=O)OInChIKey
YNEXYDHOGAIPHO-UHFFFAOYSA-NInChI
InChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-(1-Naphthyl)-4-oxobutanoic acid
Work with 4-Naphthalen-1-yl-4-oxo-butyric acid
Similar compounds
γ-Oxo-1-pyrenebutyric acid7499-60-767 % similar
Indole-3-(4'-oxo)butyric acid835-45-060 % similar
Menbutone3562-99-058 % similar
3-(1-Naphthyl)-propionic acid3243-42-358 % similar
3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one10320-49-757 % similar
3-Benzoylpropionic acid2051-95-856 % similar
3-Dimethylamino-1-(naphthalen-1-yl)propan-1-one hydrochloride5409-58-553 % similar
1-Naphthoic acid86-55-553 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.