3-(4-Chlorophenyl)-2-hydroxypropionic Acid - CAS 23434-95-9

Catalog:	BB018054
Product Name:	3-(4-Chlorophenyl)-2-hydroxypropionic Acid
CAS:	23434-95-9
Synonyms:	3-(4-chlorophenyl)-2-hydroxypropanoic acid; 3-(4-chlorophenyl)-2-hydroxypropanoic acid

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Computed Properties

IUPAC Name:	3-(4-chlorophenyl)-2-hydroxypropanoic acid
Description:	3-(4-Chlorophenyl)-2-hydroxypropionic Acid (CAS# 23434-95-9 ) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	C1=CC(=CC=C1CC(C(=O)O)O)Cl
InChI:	InChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChI Key:	HWVHXAYPEXNZSZ-UHFFFAOYSA-N
LogP:	1.32800

Publication Number	Title	Priority Date
WO-2018166899-A1	Methods for production of pf1022a derivatives	20170314
EP-3082805-A1	Substituted amino triazoles, and methods using same	20131220
EP-3082805-B1	Substituted amino triazoles, and methods using same	20131220
US-2016297823-A1	Substituted amino triazoles, and methods using same	20131220
WO-2015095701-A1	Substituted amino triazoles, and methods using same	20131220

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0240218
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.0240218
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1