4-Isobutylcinnamic acid

Catalog	ACM66734950
CAS	66734-95-0
Structure
Synonyms	(2E)-3-(4-Isobutylphenyl)acrylic acid
IUPAC Name	(E)-3-[4-(2-Methylpropyl)phenyl]prop-2-enoic acid
Molecular Weight	204.26
Molecular Formula	C13H16O2
Canonical SMILES	CC(C)CC1=CC=C(C=C1)C=CC(=O)O
InChI	InChI=1S/C13H16O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-8,10H,9H2,1-2H3,(H,14,15)/b8-7+
InChI Key	FFVQPPLMTMUAQD-BQYQJAHWSA-N
Boiling Point	334.0±11.0 °C
Melting Point	168-169 °C
Purity	95%+
Density	1.068±0.06 g/cm³
Exact Mass	204.115029749
Isomeric SMILES	CC(C)CC1=CC=C(C=C1)/C=C/C(=O)O
Monoisotopic Mass	204.115029749
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų