AG003Q57

64920-29-2 | Ethyl 2-oxo-4-phenylbutanoate

AG003Q57

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CAS Number	64920-29-2
Catalog Number	AG003Q57(AGN-PC-0JSXDW)
Chemical Name	Ethyl 2-oxo-4-phenylbutanoate
EC Number	265-276-9
IUPAC Name	ethyl 2-oxo-4-phenylbutanoate
InChI	InChI=1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key	STPXIOGYOLJXMZ-UHFFFAOYSA-N
MDL Number	MFCD00037533
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	O=C(OCC)C(CCC1=CC=CC=C1)=O
UNII	5YNU9LPT51
Synonyms	ethyl 2-oxo-4-phenylbutyrate, OPBE compound, Ethyl 2-oxo-4-phenylbutyrate, 64920-29-2, Ethyl 2-oxo-4-phenylbutanoate, Ethyl Benzylpyruvate, ETHYL-2-OXO-4-PHENYLBUTYRATE, UNII-5YNU9LPT51, 2-Oxo-4-phenylbutyric Acid Ethyl Ester, 2-oxo-4-phenyl butyric acid ethyl ester, MFCD00037533, 5YNU9LPT51, ethyl 2-oxo-4-phenyl-butanoate, STPXIOGYOLJXMZ-UHFFFAOYSA-N, 2-oxo-4-phenylbutanoic acid ethyl ester, Ethyl2-oxo-4-phenylbutyrate, EINECS 265-276-9, 4-phenyl-2-oxobutyric acid ethyl ester, AC1LBPMR, PubChem18829, Benzenebutanoic acid, .alpha.-oxo-, ethyl ester, ACMC-1B47R, DSSTox_CID_31582, DSSTox_RID_97466, DSSTox_GSID_57793, ethyl-4-phenyl-2-oxobutyrate, SCHEMBL304796, Benzylpyruvic Acid Ethyl Ester, ethyl 2-keto-4-phenylbutyrate, ethyl 4-phenyl-2-oxobutanoate, ethyl 2-oxo-4-phenyl-butyrate, CHEMBL3183364, DTXSID1057793, CTK3J0140, KS-00000JLB, STPXIOGYOLJXMZ-UHFFFAOYSA-, Ethyl 2-oxo-4-phenylbutanoate #, ZINC2384874, Tox21_113802, ANW-34965, Ethyl 2-oxo-4-phenylbutyrate, 97%, AKOS000121618, AC-5142, MCULE-9726561714, RP26226, TRA0020531, VZ32238, 2-keto-4-phenylbutyric acid ethyl ester, 2-oxo-4-phenyl-butyric acid ethyl ester, 2-oxo-4-phenylbutyric acid, ethyl ester, 2-Oxo-4-phenylbutyric acid, ethyl ether, NCGC00253678-01, AJ-35136, AK116966, AN-11295, AS-14138, K051, SC-25887, SY013535, AB0013998, CAS-64920-29-2, DB-054748, RT-002583, TL8004612, A8839, E0687, FT-0082946, FT-0640980, ST24024871, ST50825545, MFCD00037533 (95%), M-2157, SR-01000944770, I01-1462, Q-201080, SR-01000944770-1, Ethyl 2-oxo-4-phenylbutyrate, purum, >=97.0% (GC), Z220533950, 15023-79-7, InChI=1/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3, Not Available, Ethy2-oxo-4-phenylbutyrate, C12H14O3, CID562087, ZINC02384874, ACN-057431, C12-H14-O3,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number