4-(4-Cyclohexylphenyl)-4-oxobut-2-enoic acid

CAS	58897-74-8
Structure
Synonyms	3-(4-Cyclohexylbenzoyl)acrylic acid
IUPAC Name	(E)-4-(4-Cyclohexylphenyl)-4-oxobut-2-enoic acid
Molecular Weight	258.31
Canonical SMILES	C1CCC(CC1)C2=CC=C(C=C2)C(=O)C=CC(=O)O
InChI	InChI=1S/C16H18O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,18,19)/b11-10+
InChI Key	YJJOPFUDTMESJU-ZHACJKMWSA-N
Boiling Point	437.6±45.0 °C
Melting Point	140-142 °C
Purity	95%+
Density	1.156±0.06 g/cm³
Exact Mass	258.125594432
Isomeric SMILES	C1CCC(CC1)C2=CC=C(C=C2)C(=O)/C=C/C(=O)O
Monoisotopic Mass	258.125594432
Topological Polar Surface Area	54.4 Ų