AG001OFB

156-06-9 | Benzenepropanoic acid, α-oxo-

AG001OFB

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CAS Number	156-06-9
Catalog Number	AG001OFB(AGN-PC-0Q70VO)
Chemical Name	Benzenepropanoic acid, α-oxo-
EC Number	205-847-1
FEMA Number	3892
IUPAC Name	2-oxo-3-phenylpropanoic acid
InChI	InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChI Key	BTNMPGBKDVTSJY-UHFFFAOYSA-N
MDL Number	MFCD00002589
Molecular Formula	C9H8O3
Molecular Weight	164.1580
SMILES	OC(=O)C(=O)CC1=CC=CC=C1
UNII	X7CO62M413
Synonyms	3-phenylpyruvate, beta-phenylpyruvic acid, phenylpyruvate, phenylpyruvic acid, phenylpyruvic acid, calcium salt, phenylpyruvic acid, sodium salt, phenylpyruvic acid, 2-Oxo-3-phenylpropanoic acid, 156-06-9, 3-Phenylpyruvic acid, phenylpyruvate, keto-phenylpyruvate, beta-Phenylpyruvic acid, Pyruvic acid, phenyl-, b-phenylpyruvic acid, 3-phenyl-2-oxopropanoate, alpha-ketohydrocinnamic acid, Benzenepropanoic acid, .alpha.-oxo-, Phenyl pyruvic acid, 3-Phenyl-2-oxopropanoic acid, UNII-X7CO62M413, Phenylpyroracemic acid, CHEBI:30851, alpha-Keto-DL-phenylalanine, 2-oxo-3-phenyl-propanoic acid, 2-oxo-3-phenyl-propionic acid, PHENYLPYRUVIC ACID, REAG, Benzenepropanoic acid, alpha-oxo-, BTNMPGBKDVTSJY-UHFFFAOYSA-N, X7CO62M413, MFCD00002589, PPY, 2-Oxo-3-phenylpropanic acid, b-Phenylpyruvate, PhenylpyruvicAcid, Phenylpyroracemate, 4kif, beta-Phenylpyruvate, phenyl-pyruvic acid, EINECS 205-847-1, 2-OXO-3-PHENYLPROPIONIC ACID, a-hydroxycinnamic acid, Phenylbrenztraubensaeure, alpha-Ketohydrocinnamate, AC1Q5BXH, .beta.-Phenylpyruvic acid, Phenylpyruvic acid, 98%, ACMC-209dd9, AC1L1AI2, AC1Q71MR, DSSTox_CID_22281, DSSTox_RID_79988, DSSTox_GSID_42281, SCHEMBL43235, alpha-oxo-benzenepropanoic acid, Jsp003068, a-Oxobenzenepropanoic acid, 9CI, CHEMBL1162488, DTXSID1042281, CTK3I9730, FEMA 3892, ZINC901485, KS-000012WE, Tox21_301362, 7828AA, ANW-21595, ARJ102154, BDBM50167651, GEO-02572, SBB012361, AKOS000161798, CS-W013246, DB03884, HY-W012530, MCULE-9935480822, Phenylpyruvic acid, analytical standard, RTR-033542, NCGC00255726-01, AJ-24364, AK-90109, AN-44056, CAS-156-06-9, SC-18873, ST068813, 2-Hydroxy-3-phenyl-2-propenoic acid, 9CI, AC-116009, Phenylpyruvic acid, purum, >=98.0% (T), TR-033542, FT-0631855, P0154, EN300-49247, C00166, SR-01000580517, I01-8172, Q-201562, S02-0190, SR-01000580517-1, 2-Oxo-3-phenylpropanoic acid (Mixture oxo and keto), 7D5F143E-52E8-4FBB-87F1-0D4F96B4CA60, I14-100923, Z1270443861, 1PY, 3-Phenylpyruvate, alpha-ketophenylalanine, keto-phenylpyruvic acid, 2-oxo-3-phenylpropanoate, 2-Oxo-3-phenylpropanoicacid, C9H8O3, CID997, Phenylpyruvic acid, sodium salt, Phenylpyruvic acid, calcium salt, C9-H8-O3, AR-1I0741, ACN-051515, C031606, 114-76-1, 52995-75-2,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number