3-(4-Methylbenzoyl)acrylic acid

CAS	20972-36-5
Structure
Synonyms	Trans-3-(4-methylbenzoyl)acrylic acid
IUPAC Name	(E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid
Molecular Weight	190.19
Canonical SMILES	CC1=CC=C(C=C1)C(=O)C=CC(=O)O
InChI	InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChI Key	VNJMEFZKYZHWEO-VOTSOKGWSA-N
Boiling Point	361.8±42.0 °C
Melting Point	138-140 °C
Purity	95%+
Density	1.200±0.06 g/cm³
Exact Mass	190.062994177
Isomeric SMILES	CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	54.4 Ų