3-(2-Chlorophenyl)propionic Acid - CAS 1643-28-3

Catalog:	BB012097
Product Name:	3-(2-Chlorophenyl)propionic Acid
CAS:	1643-28-3
Synonyms:	3-(2-chlorophenyl)propanoic acid; 3-(2-chlorophenyl)propanoic acid

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Computed Properties

IUPAC Name:	3-(2-chlorophenyl)propanoic acid
Description:	3-(2-Chlorophenyl)propionic Acid (CAS# 1643-28-3) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	C1=CC=C(C(=C1)CCC(=O)O)Cl
InChI:	InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:	KZMDFTFGWIVSNQ-UHFFFAOYSA-N
Boiling Point:	306.6 °C at 760 mmHg
Density:	1.27 g/cm³
MDL:	MFCD00016547
LogP:	2.35720

Publication Number	Title	Priority Date
CN-112679336-A	Method for synthesizing phenylpropionic acid compound under catalysis of heterogeneous palladium metal	20201229
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
CN-108794311-B	Method for preparing o-chlorobenzaldehyde by continuously oxidizing o-chlorotoluene	20180717
US-2020149034-A1	Methods and Compositions for Synthesis of Encoded Libraries	20170317
WO-2018165575-A2	Warhead-containing peptidomimetic macrocycles as modulators of bfl-1	20170309

PMID	Publication Date	Title	Journal
22152100	20111209	Baclofen alters gustatory discrimination capabilities and induces a conditioned taste aversion (CTA)	BMC research notes

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0291072
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.0291072
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3