AG003PZ5

51725-82-7 | Ethyl 3-oxo-3-(o-tolyl)propanoate

AG003PZ5

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CAS Number	51725-82-7
Catalog Number	AG003PZ5(AGN-PC-0SB3YY)
Chemical Name	Ethyl 3-oxo-3-(o-tolyl)propanoate
IUPAC Name	ethyl 3-(2-methylphenyl)-3-oxopropanoate
InChI	InChI=1S/C12H14O3/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChI Key	UNULPFKXRJPSCO-UHFFFAOYSA-N
MDL Number	MFCD03424817
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	O=C(OCC)CC(C1=CC=CC=C1C)=O
Synonyms	51725-82-7, Ethyl 3-oxo-3-(o-tolyl)propanoate, ethyl 3-oxo-3-o-tolylpropanoate, ethyl 3-(2-methylphenyl)-3-oxopropanoate, Ethyl (2-methylbenzoyl)acetate, 3-Oxo-3-(2-tolyl)propionic acid ethyl ester, 3-Oxo-3-o-tolyl-propionic acid ethyl ester, Ethyl o-toluoylacetate, Ethyl 2-(2-methylbenzoyl)acetate, ethyl 2-methylbenzoylacetate, AK-81663, Benzenepropanoic acid,2-methyl-b-oxo-, ethyl ester, ACMC-20a5sf, AC1MC2BF, Ethyl o-methylbenzoylacetate, SCHEMBL406193, CTK4J4737, KS-00001KJD, DTXSID70375090, UNULPFKXRJPSCO-UHFFFAOYSA-N, ZINC2575915, Ethyl 3-Oxo-3-(o-tolyl)propionate, 7228AB, ANW-58429, BBL005477, ETHYL(2-METHYLBENZOYL)ACETATE, MFCD03424817, STL134824, 2-Methylbenzoylacetic acid ethyl ester, AKOS005744946, Ethyl (2-methylbenzoyl)acetate, 97%, MCULE-3080134467, RP26228, VZ27191, ACM51725827, (2-Methylbenzoyl)acetic Acid Ethyl Ester, AC-17241, AC-26788, AJ-42451, BC211383, CC-15824, DS-16410, SC-26645, AX8014005, DB-052013, TC-147174, 3-OXO-3-O-TOLylpropanoic acid ethyl ESTER, CS-0042530, E1125, FT-0640020, T7926, 3-Oxo-3-(o-tolyl)propionic Acid Ethyl Ester, C-10290, I01-2591, J-520469, Benzenepropanoic acid, 2-methyl-beta-oxo-, ethyl ester, Ethyl3-oxo-3-(o-tolyl)propanoate, C12H14O3, ZINC02575915, CID2760276, 3-OXO-3-O-TOLYL-PROPIONICACIDETHYLESTER,

Complexity	235
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	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

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