2-(4-Chlorophenyl)-2-hydroxypropionic Acid - CAS 4445-13-0

Catalog:	BB025615
Product Name:	2-(4-Chlorophenyl)-2-hydroxypropionic Acid
CAS:	4445-13-0
Synonyms:	2-(4-chlorophenyl)-2-hydroxypropanoic acid; 2-(4-chlorophenyl)-2-hydroxypropanoic acid

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Computed Properties

IUPAC Name:	2-(4-chlorophenyl)-2-hydroxypropanoic acid
Description:	2-(4-Chlorophenyl)-2-hydroxypropionic Acid (CAS# 4445-13-0) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	CC(C1=CC=C(C=C1)Cl)(C(=O)O)O
InChI:	InChI=1S/C9H9ClO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
InChI Key:	CUDDZZCNPJYPBF-UHFFFAOYSA-N
LogP:	1.63210

Publication Number	Title	Priority Date
CA-2805867-A1	1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds	20100809
CN-103068806-A	1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds	20100809
EP-2603496-A1	1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds	20100809
JP-2013533295-A	1,4,5,6-tetrahydro-pyrimidin-2-ylamine compound	20100809
KR-101496272-B1	1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds	20100809

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Related Functional Groups

Carbonyl Compounds

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[1431966-64-1]
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[865774-78-3]
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[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[4313-03-5]
2,4-Heptadienal

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GHS Hazard Statement:	H302 (100%): 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:	199
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:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6