AG00IC4F

710-11-2 | Benzenebutanoic acid, a-oxo-

AG00IC4F

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CAS Number	710-11-2
Catalog Number	AG00IC4F(AGN-PC-0TYMOK)
Chemical Name	Benzenebutanoic acid, a-oxo-
EC Number	211-916-7
IUPAC Name	2-oxo-4-phenylbutanoic acid
InChI	InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChI Key	PPKAIMDMNWBOKN-UHFFFAOYSA-N
MDL Number	MFCD00969471
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	C(CC(=O)C(=O)O)c1ccccc1
Synonyms	2-oxo-4-phenylbutanoic acid, 710-11-2, 2-Oxo-4-phenylbutyric acid, 2-Oxo-4-phenyl-butyric acid, CHEMBL16281, 2-oxo-4-phenyl-butanoic acid, Benzenebutanoic acid, alpha-oxo-, 2-Oxo-4-phenylbutanoate, benzylpyruvic acid, EINECS 211-916-7, oxobenzenebutanoic acid, PubChem18755, AC1L2CJE, AC1Q5RHT, 4-phenyl-2-oxobutyric acid, 4-phenyl-2-oxobutanoic acid, Benzenebutanoic acid, a-oxo-, 2-oxo-4-phenyl butyric acid, KSC497Q3R, SCHEMBL258545, 4-Phenyl-2-Ketobutanoic Acid, CTK3J7838, DTXSID10221224, PPKAIMDMNWBOKN-UHFFFAOYSA-N, ALBB-014726, KS-00000N7B, ZINC1845776, 1012AC, BDBM50125828, MFCD00969471, SBB063374, AKOS005174543, AC-3539, CS-W019322, DS-3613, GL-0706, MCULE-5355166420, RL04718, 2-oxo-4-phenyl-butyric acid, AldrichCPR, AJ-31865, AK107119, AN-12877, BC216574, AB0063071, DB-055479, RT-004035, FT-0082945, FT-0632864, O0389, C20327, W-7725, 710O112, W-104537, |A-carbonylphenylbutyric acid, 2-Oxo-4-phenylbutanoicacid, alpha-Carbonylphenylbutyric acid, AIDS189857, C10H10O3, CID69732, AR-1E4650, ACN-028412, C10-H10-O3, 7385-99-1,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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