3-(4-Methoxybenzoyl)acrylic acid

Catalog	ACM5711411
CAS	5711-41-1
Structure
Synonyms	Trans-3-(4-methoxybenzoyl)acrylic acid
IUPAC Name	(E)-4-(4-Methoxyphenyl)-4-oxobut-2-enoic acid
Molecular Weight	206.19
Molecular Formula	C11H10O4
Canonical SMILES	COC1=CC=C(C=C1)C(=O)C=CC(=O)O
InChI	InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChI Key	WORYXBDHTBWLLL-VOTSOKGWSA-N
Boiling Point	389.3±42.0 °C
Melting Point	132-136 °C
Flash Point	155.2ºC
Purity	95%+
Density	1.240±0.06 g/cm³
Exact Mass	206.0579088
Isomeric SMILES	COC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
Monoisotopic Mass	206.0579088
Topological Polar Surface Area	63.6 Ų