AG00EKFB

5814-37-9 | ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate

AG00EKFB

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CAS Number	5814-37-9
Catalog Number	AG00EKFB(AGN-PC-0SP42I)
Chemical Name	ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate
IUPAC Name	ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate
InChI	InChI=1S/C13H14O4/c1-3-17-13(16)12(15)8-11(14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChI Key	QQMYOPVSVNPECO-UHFFFAOYSA-N
MDL Number	MFCD03411526
Molecular Formula	C13H14O4
Molecular Weight	234.2479
SMILES	CCOC(=O)C(=O)CC(=O)C1=CC=C(C)C=C1
Synonyms	Ethyl 2,4-dioxo-4-(p-tolyl)butanoate, 5814-37-9, Ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate, QQMYOPVSVNPECO-UHFFFAOYSA-N, Ethyl 2,4-dioxo-4-p-tolylbutanoate, AK-84644, AC1LC67O, SCHEMBL2911004, CTK8B9855, DTXSID70344201, KS-00000PA1, ANW-63323, ethyl 2.4-dioxo-4-p-tolylbutanoate, MFCD03411526, AKOS000210835, ZINC100025907, ethyl 4-(4-tolyl)-2,4-dioxobutanoate, DS-17463, AX8219553, BC4160966, TC-152068, FT-0757451, ST24046758, Ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate #, 2-Oxo-3-[3-methylbenzoyl]propanoic acid, ethyl ester, 2,4-Dioxo-4-(4-methylphenyl)butanoic acid ethyl ester, CID595052, Ethyl2,4-dioxo-4-(p-tolyl)butanoate,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.089g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.251g/mol
Monoisotopic Mass	234.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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