AG00D8XN

5524-56-1 | Ethyl 4-Methylbenzoylformate

AG00D8XN

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CAS Number	5524-56-1
Catalog Number	AG00D8XN(AGN-PC-0SIVB1)
Chemical Name	Ethyl 4-Methylbenzoylformate
IUPAC Name	ethyl 2-(4-methylphenyl)-2-oxoacetate
InChI	InChI=1S/C11H12O3/c1-3-14-11(13)10(12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChI Key	ZGHJACPCSQNDGB-UHFFFAOYSA-N
MDL Number	MFCD01311169
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	CC1=CC=C(C=C1)C(C(=O)OCC)=O
Synonyms	Ethyl 4-methylbenzoylformate, 5524-56-1, ethyl 2-(4-methylphenyl)-2-oxoacetate, ethyl 2-oxo-2-p-tolylacetate, ethyl 2-(4-methylphenyl)glyoxylate, Ethyl 2-oxo-2-(p-tolyl)acetate, ethyl (4-methylphenyl)(oxo)acetate, Benzeneacetic acid,4-methyl-a-oxo-, ethyl ester, ethyl 4-tolylglyoxylate, AC1MC5LI, SCHEMBL167161, CTK5A3281, oxop-tolylacetic acid ethyl ester, DTXSID20371365, ZGHJACPCSQNDGB-UHFFFAOYSA-N, (p-tolyl)glyoxylic acid ethyl ester, KS-000010PL, ZINC2574397, ZX-AT020945, 2-p-Tolylglyoxylic acid ethyl ester, 5503AE, MFCD01311169, SBB053768, AKOS001105850, AS-9140, MCULE-9083146680, 4-methylphenylglyoxylic acid ethyl ester, ethyl 4-methylbenzoylformate, AldrichCPR, BBV-33124634, OR017808, SY063836, 4-Methyl-oxo-benzeneacetic acid ethyl ester, FT-0625869, ST50949700, MFCD01311169 (95%), 2-(4-methylphenyl)-2-oxoacetic acid ethyl ester, A830553, ethyl 2-(4-methylphenyl)-2-oxidanylidene-ethanoate, Benzeneacetic acid, 4-methyl-alpha-oxo-, ethyl ester, ETHYL4-METHYLBENZOYLFORMATE, C11H12O3, ZINC02574397, CID2736443, Ethyl 4-methylbenzoylformate, 96% - 1G 1g,

Complexity	215
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	4
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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