4-Methylcinnamic Acid

Catalog	ACM1866393-1
CAS	1866-39-3
Structure
Synonyms	3-(4-Methylphenyl)acrylic acid
IUPAC Name	(E)-3-(4-Methylphenyl)prop-2-enoic acid
Molecular Weight	162.18
Molecular Formula	C10H10O2
Canonical SMILES	CC1=CC=C(C=C1)C=CC(=O)O
InChI	InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChI Key	RURHILYUWQEGOS-VOTSOKGWSA-N
Boiling Point	228.88 °C
Melting Point	196-198 °C
Purity	95%+
Density	1.0281 g/mL at 25 °C(lit.)
Appearance	White cryst
Exact Mass	162.068079557
Isomeric SMILES	CC1=CC=C(C=C1)/C=C/C(=O)O
Monoisotopic Mass	162.068079557
Physical State	Crystalline
Refractive Index	n20/D 1.5766(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų