2,5-Dimethylcinnamic acid

Catalog	ACM95883106
CAS	95883-10-6
Structure
Synonyms	3-(2,5-Dimethylphenyl)acrylic acid
IUPAC Name	(E)-3-(2,5-Dimethylphenyl)prop-2-enoic acid
Molecular Weight	176.21
Molecular Formula	C11H12O2
Canonical SMILES	CC1=CC(=C(C=C1)C)C=CC(=O)O
InChI	InChI=1S/C11H12O2/c1-8-3-4-9(2)10(7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
InChI Key	FAIBVLSPNAHVSQ-AATRIKPKSA-N
Melting Point	129-131 °C
Purity	95%+
Solubility	Insoluble in water
Exact Mass	176.083729621
Isomeric SMILES	CC1=CC(=C(C=C1)C)/C=C/C(=O)O
Monoisotopic Mass	176.083729621
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų