AG003RT9

37779-49-0 | Methyl 3-oxo-4-phenylbutanoate

AG003RT9

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CAS Number	37779-49-0
Catalog Number	AG003RT9(AGN-PC-0KKNTQ)
Chemical Name	Methyl 3-oxo-4-phenylbutanoate
IUPAC Name	methyl 3-oxo-4-phenylbutanoate
InChI	InChI=1S/C11H12O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key	DTMSEOVTDVSPDO-UHFFFAOYSA-N
MDL Number	MFCD03424746
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	COC(=O)CC(=O)CC1=CC=CC=C1
Synonyms	methyl 3-oxo-4-phenylbutanoate, 37779-49-0, 3-oxo-4-phenylbutyric acid methyl ester, methyl 3-oxo-4-phenylbutyrate, 3-Oxo-4-phenyl-butyric acid methyl ester, AK-78922, Benzenebutanoicacid, b-oxo-, methyl ester, UPCMLD00WJAB48, Methyl 4-Phenylacetoacetate, AC1MC2A6, methyl gamma-phenylacetoacetate, methyl 4-phenyl-3-oxobutyrate, Methyl3-Oxo-4-phenylbutanoate, SCHEMBL2637708, CTK4H8811, DTXSID40375082, DTMSEOVTDVSPDO-UHFFFAOYSA-N, ALBB-021820, KS-00000BF0, ZINC2574181, ZX-AN037409, 4836AB, ANW-57049, MFCD03424746, 4-Phenylacetoacetic Acid Methyl Ester, AKOS006345775, CS-W005173, MCULE-6397532372, TRA0008523, VZ27201, ACM37779490, 3-oxo-4-phenylbutanoic acid methyl ester, AJ-42223, AS-10293, beta-oxo-benzenebutanoic acid methyl ester, CC-15843, CJ-10023, methyl 3-oxidanylidene-4-phenyl-butanoate, SC-25807, SY005594, AB0058821, AB1000516, AX8013129, TC-145794, 4CH-007330, FT-0639408, M2396, ST24031050, benzenebutanoic acid, beta-oxo-, methyl ester, Z-3935, MFCD03424746 (95+%), A823870, C-08397, S01-0473, 3-oxo-4-phenyl-butyric acid methyl ester, AldrichCPR, null, C11H12O3, ZINC02574181, CID2760261,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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