2,2-Bis(4-hydroxyphenyl)-propanoic Acid - CAS 92549-67-2

Catalog:	BB061787
Product Name:	2,2-Bis(4-hydroxyphenyl)-propanoic Acid
CAS:	92549-67-2
Synonyms:	2,2-Bis(4-hydroxyphenyl)propionic Acid; 4-Hydroxy-α-(4-hydroxyphenyl)-α-methylbenzeneacetic Acid

Technical Data

IUPAC Name:	2,2-bis(4-hydroxyphenyl)propanoic acid
Description:	2,2-Bis(4-hydroxyphenyl)-propanoic Acid is an intermediate in the synthesis of 2,2-Bis(4-hydroxyphenyl)propanol (B447360) which is a metabolite of bisphenol A (B519495). It works as an endocrine disruptor.
Molecular Weight:	258.27
Molecular Formula:	C15H14O4
Canonical SMILES:	CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C(=O)O
InChI:	InChI=1S/C15H14O4/c1-15(14(18)19,10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h2-9,16-17H,1H3,(H,18,19)
InChI Key:	YWXSOBSAHZIXED-UHFFFAOYSA-N
Solubility:	Methanol
Appearance:	Viscous liquid
References:	Krishnan, A.V., et al. Endocrinology, 132, 2279 (1993), Steinmetz, R., et al. Trends Endocrinol. Metab., 9, 124 (1998); Kitamura, S., et al. Toxicol. Sci., 84, 249 (2005).

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.08920892
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	258.08920892
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2