3-Oxo-3-phenylpropionic Acid - CAS 614-20-0

Catalog:	BB031097
Product Name:	3-Oxo-3-phenylpropionic Acid
CAS:	614-20-0
Synonyms:	3-oxo-3-phenylpropanoic acid; 3-oxo-3-phenylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-oxo-3-phenylpropanoic acid
Description:	3-Oxo-3-phenylpropionic Acid (CAS# 614-20-0 ) is a useful research chemical.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	C1=CC=C(C=C1)C(=O)CC(=O)O
InChI:	InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChI Key:	HXUIDZOMTRMIOE-UHFFFAOYSA-N
Boiling Point:	349.1 °C at 760 mmHg
Density:	1.242 g/cm³
MDL:	MFCD03265387
LogP:	1.34400

Publication Number	Title	Priority Date
CN-113200855-A	Preparation method of ethyl benzoylacetate	20210513
CN-113248370-A	Preparation method of o-methyl sodium phenoxyacetate in synthesis process of 2-methyl-4-sodium phenoxyacetate	20210507
CN-113121335-A	Preparation method of 2, 4-dichlorophenoxyacetic acid	20210416
CN-113041975-A	Microwave application reaction device and application method thereof	20210330
CN-112920107-A	Synthetic method of lobeline hydrochloride	20210207

PMID	Publication Date	Title	Journal
22860452	20120501	[Chemical constituents from Gueldenstaedtia stenophylla]	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica
21910445	20111021	Imidazolidene carboxylate bound MBPh4 complexes (M = Li, Na) and their relevance in transcarboxylation reactions	The Journal of organic chemistry
22064810	20110901	4-(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-sulfonamide	Acta crystallographica. Section E, Structure reports online
18652349	20080501	[Chemical constituents from Lespedeza virgata]	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica
17432587	20070101	[Simultaneous determination of twenty-one organic acids in food by ion chromatography with eluent autogeneration]	Se pu = Chinese journal of chromatography

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Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.047344113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.047344113
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2