3-(3-Chlorophenyl)-2-hydroxypropionic Acid - CAS 139546-79-5

Catalog:	BB008955
Product Name:	3-(3-Chlorophenyl)-2-hydroxypropionic Acid
CAS:	139546-79-5
Synonyms:	3-(3-chlorophenyl)-2-hydroxypropanoic acid; 3-(3-chlorophenyl)-2-hydroxypropanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(3-chlorophenyl)-2-hydroxypropanoic acid
Description:	3-(3-Chlorophenyl)-2-hydroxypropionic Acid (CAS# 139546-79-5) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	C1=CC(=CC(=C1)Cl)CC(C(=O)O)O
InChI:	InChI=1S/C9H9ClO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChI Key:	LTPLLXQULCUYHJ-UHFFFAOYSA-N
LogP:	1.32800

Publication Number	Title	Priority Date
EP-3504193-A1	New difluoroketamide derivatives as htra1 inhibitors	20160823
EP-3504197-A1	New trifluoromethylpropanamide derivatives as htra1 inhibitors	20160823
US-2019185426-A1	New trifluoromethylpropanamide derivatives as htra1 inhibitors	20160823
US-2019185427-A1	Difluoroketamide derivatives as htra1 inhibitors	20160823
WO-2018036942-A1	New difluoroketamide derivatives as htra1 inhibitors	20160823

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	184
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:	1.8