(2Z)-2-Hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid - CAS 113282-74-9

Catalog:	BB063961
Product Name:	(2Z)-2-Hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid
CAS:	113282-74-9
Synonyms:	2-Hydroxy-4-oxo-4-(p-tolyl)but-2-enoic acid; (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid; (Z)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid; 2-Hydroxy-4-oxo-4-(p-tolyl)but-2-enoicacid; (z)-2-hydroxy-4-oxo-4-p-tolyl-2-butenoic acid

Technical Data

IUPAC Name:	(Z)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid
Description:	(2Z)-2-Hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid
Molecular Weight:	206.2
Molecular Formula:	C11H10O4
Canonical SMILES:	CC1=CC=C(C=C1)C(=CC(=O)C(=O)O)O
InChI:	InChI=1S/C11H10O4/c1-7-2-4-8(5-3-7)9(12)6-10(13)11(14)15/h2-6,12H,1H3,(H,14,15)/b9-6-
InChI Key:	BDSZGRPPZOUZRA-TWGQIWQCSA-N

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	206.0579088
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	206.0579088
Rotatable Bond Count:	3
Topological Polar Surface Area:	74.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1