AG003QHJ

13395-36-3 | Ethyl 5,5-Dimethyl-2,4-dioxohexanoate

AG003QHJ

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CAS Number	13395-36-3
Catalog Number	AG003QHJ(AGN-PC-0JLUID)
Chemical Name	Ethyl 5,5-Dimethyl-2,4-dioxohexanoate
EC Number	236-478-4
IUPAC Name	ethyl 5,5-dimethyl-2,4-dioxohexanoate
InChI	InChI=1S/C10H16O4/c1-5-14-9(13)7(11)6-8(12)10(2,3)4/h5-6H2,1-4H3
InChI Key	NIMKIMUBJFWPTD-UHFFFAOYSA-N
MDL Number	MFCD00052319
Molecular Formula	C10H16O4
Molecular Weight	200.2316
SMILES	CCOC(=O)C(=O)CC(=O)C(C)(C)C
Synonyms	Ethyl 5,5-dimethyl-2,4-dioxohexanoate, 13395-36-3, Ethyl trimethylacetopyruvate, Hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester, 5,5-Dimethyl-2,4-dioxo-hexanoic acid ethyl ester, NIMKIMUBJFWPTD-UHFFFAOYSA-N, MFCD00052319, 5,5-Dimethyl-2,4-dioxohexanoic acid ethyl ester, EINECS 236-478-4, ethyl pivaloylpyruvate, AC1Q5BYC, SCHEMBL141672, AC1L35D9, pivaloylpyruvic acid ethyl ester, CTK8C5096, DTXSID80158432, 3-Pivaloylpyruvic acid ethyl ester, KS-00000G8E, ZINC4262684, ANW-74121, SBB054116, AKOS000210352, ethyl5,5-dimethyl-2,4-dioxohexanoate, Trimethylacetopyruvic Acid Ethyl Ester, ethyl 5,5-dimethyl-2,4-dioxo-hexanoate, AJ-49929, AK-81492, DS-16234, SC-34941, DB-012840, TR-004599, E1326, FT-0682767, ST24047056, X6461, K-4216, Hexanoic acid,5,5-dimethyl-2,4-dioxo-,ethyl ester, S14-1607, W-110334, I14-10119, C10H16O4, CID83403, AR-1I9358, C10-H16-O4, 13487-27-9,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.234g/mol
Monoisotopic Mass	200.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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