4-Acetonylbenzoic acid

CAS	15482-54-9
Structure
Synonyms	(4-Carboxyphenyl)acetone
IUPAC Name	4-(2-Oxopropyl)benzoic acid
Molecular Weight	178.18
Canonical SMILES	CC(=O)CC1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key	FLZUYXUBDVKWPO-UHFFFAOYSA-N
Boiling Point	330.5±25.0 °C
Melting Point	196.5-197.0 °C
Purity	95%+
Density	1.200±0.06 g/cm³
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Storage Conditions	2-8 °C
Topological Polar Surface Area	54.4 Ų