AG0010PL

13246-52-1 | Hexanoic acid, 2,4-dioxo-, ethyl ester

AG0010PL

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CAS Number	13246-52-1
Catalog Number	AG0010PL(AGN-PC-0JL4K7)
Chemical Name	Hexanoic acid, 2,4-dioxo-, ethyl ester
EC Number	236-228-4
FEMA Number	3278
IUPAC Name	ethyl 2,4-dioxohexanoate
InChI	InChI=1S/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3
InChI Key	JGFBKJBAYISHAG-UHFFFAOYSA-N
MDL Number	MFCD03265450
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(C(=O)OCC)CC(CC)=O
UNII	9064NS087D
Synonyms	Ethyl 2,4-dioxohexanoate, 13246-52-1, Hexanoic acid, 2,4-dioxo-, ethyl ester, Ethyl propionyl pyruvate, Ethyl beta-propionylpyruvate, Ethyl 2,4-diketocaproate, 2,4-Dioxohexanoic acid, ethyl ester, FEMA No. 3278, UNII-9064NS087D, Ethyl propionylpyruvate, EINECS 236-228-4, 9064NS087D, ethyl-2,4-dioxohexanoate, ethyl2,4-dioxohexanoate, AC1L1VJB, AC1Q31XU, Ethyl-2,4-dioxo hexanoate, SCHEMBL1178944, DTXSID7065382, CTK4B7941, FEMA 3278, JGFBKJBAYISHAG-UHFFFAOYSA-N, 2,4-dioxohexanoic acid ethyl ester, ALBB-031100, ANW-58992, MFCD03265450, SBB026562, STK353486, AKOS000117988, ZINC100024297, AB13926, LS-2725, MCULE-7503341598, Hexanoic acid,2,4-dioxo-, ethyl ester, KS-00000G87, AK-51317, BC203519, DS-15813, S701, DB-012836, TC-147737, 2,4-DIOXO-HEXANOIC ACID ETHYL ESTER, FT-0725805, ST45135263, EN300-27635, W-2066, 246E521, Z246671268, C8H12O4, CID61590, C8-H12-O4,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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