3-Methylcinnamic acid

CAS	14473-89-3 / 3029-79-6
Structure
Synonyms	(E)-3-M-tolylacrylic acid
IUPAC Name	(E)-3-(3-Methylphenyl)prop-2-enoic acid
Molecular Weight	162.18
Canonical SMILES	CC1=CC(=CC=C1)C=CC(=O)O
InChI	InChI=1S/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
InChI Key	JZINNAKNHHQBOS-AATRIKPKSA-N
Boiling Point	228.88 °C
Melting Point	116-119 °C
Purity	95%+
Density	1.0281 g/mL at 25 °C(lit.)
Solubility	Insoluble in water
Exact Mass	162.068079557
Isomeric SMILES	CC1=CC(=CC=C1)/C=C/C(=O)O
Monoisotopic Mass	162.068079557
Physical State	Crystals
Refractive Index	n20/D 1.5766(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų