AG0034TO

33166-79-9 | Ethyl (3-methylbenzoyl)acetate

AG0034TO

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CAS Number	33166-79-9
Catalog Number	AG0034TO(AGN-PC-0R8N7E)
Chemical Name	Ethyl (3-methylbenzoyl)acetate
IUPAC Name	ethyl 3-(3-methylphenyl)-3-oxopropanoate
InChI	InChI=1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChI Key	LLFKVNDSLHMEQC-UHFFFAOYSA-N
MDL Number	MFCD03424816
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	CC=1C=C(C(=O)CC(=O)OCC)C=CC1
Synonyms	33166-79-9, Ethyl 3-oxo-3-(m-tolyl)propanoate, Ethyl (3-methylbenzoyl)acetate, ethyl 3-(3-methylphenyl)-3-oxopropanoate, 3-Oxo-3-(3-tolyl)propionic acid ethyl ester, ethyl 3-oxo-3-m-tolylpropanoate, Ethyl m-toluoylacetate, 3-Oxo-3-m-tolyl-propionic acid ethyl ester, AK-81597, AC1MC2BI, ACMC-20a5t6, Ethyl m-methylbenzoylacetate, ethyl 3-methylbenzoylacetate, ethyl 3-methyl-benzoyl-acetate, SCHEMBL1167294, CTK4H0068, KS-00000GNU, DTXSID30375091, Ethyl 2-(3-methylbenzoyl)acetate, LLFKVNDSLHMEQC-UHFFFAOYSA-N, ALBB-020946, ZINC2575914, ZX-AN036577, Ethyl 3-oxo-3-(m-tolyl)propionate, ANW-58456, ETHYL(3-METHYLBENZOYL)ACETATE, MFCD03424816, STL185687, AKOS000266401, 3-Oxo-3-m-tolylpropionate ethyl ester, CS-W005940, MCULE-7543402277, VZ27193, ACM33166799, AC-26789, AJ-42450, AS-11471, CC-15828, SC-62477, 3-oxo-3-m-tolylpropionic acid-ethyl ester, AX8014006, TC-147201, 3-OXO-3-M-TOLylpropanoic acid ethyl ESTER, BB 0253296, FT-0639082, 3-Oxo-3-(m-tolyl)propionic acid ethyl ester, C-10291, 3-(3-methylphenyl)-3-oxopropionic acid ethyl ester, Benzenepropanoic acid,3-methyl-b-oxo-, ethyl ester, I01-2569, J-019052, Benzenepropanoic acid, 3-methyl-|A-oxo-, ethyl ester, benzenepropanoic acid, 3-methyl-beta-oxo-, ethyl ester, C12H14O3, ZINC02575914, ACN-030465, CID2760277, 3-OXO-3-M-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	2.2

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

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