3-Hydroxy-4-phenylbenzoic Acid - CAS 106593-48-0

Catalog:	BB060915
Product Name:	3-Hydroxy-4-phenylbenzoic Acid
CAS:	106593-48-0
Synonyms:	2-Hydroxy-[1,1'-biphenyl]-4-carboxylic acid; 3-HYDROXY-4-PHENYLBENZOIC ACID; 2-Hydroxy[1,1'-biphenyl]-4-carboxylic acid; 2-Hydroxy-[1,1'-biphenyl]-4-carboxylicacid

Technical Data

IUPAC Name:	3-hydroxy-4-phenylbenzoic acid
Description:	3-Hydroxy-4-phenylbenzoic Acid is a useful reagent for the preparation of spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine] derivatives as modulators of sodium ion channel.
Molecular Weight:	214.22
Molecular Formula:	C13H10O3
Canonical SMILES:	C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)O
InChI:	InChI=1S/C13H10O3/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
InChI Key:	DSADESJTZDXCPN-UHFFFAOYSA-N
Melting Point:	185 - 188°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Hadida Ruah, S. S., et al. U.S. Pat. Appl. Publ. (2012), US 20120196869 A1.

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.062994177
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7