AG003Q2G

36983-31-0 | Ethyl 2,4-dioxoheptanoate

AG003Q2G

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CAS Number	36983-31-0
Catalog Number	AG003Q2G(AGN-PC-0BXADE)
Chemical Name	Ethyl 2,4-dioxoheptanoate
IUPAC Name	ethyl 2,4-dioxoheptanoate
InChI	InChI=1S/C9H14O4/c1-3-5-7(10)6-8(11)9(12)13-4-2/h3-6H2,1-2H3
InChI Key	DMAUJRWSYKLVHX-UHFFFAOYSA-N
MDL Number	MFCD08700411
Molecular Formula	C9H14O4
Molecular Weight	186.2051
SMILES	CCCC(=O)CC(=O)C(=O)OCC
Synonyms	ethyl 2,4-dioxoheptanoate, 36983-31-0, 2,4-Dioxoheptanoic acid ethyl ester, MFCD08700411, AC1MHKYA, ethyl 3-butyrylpyruvate, AC1Q2UFF, SCHEMBL1179018, CTK4H7508, DTXSID70388307, DMAUJRWSYKLVHX-UHFFFAOYSA-N, ANW-65382, AKOS000136212, ZINC100011658, MCULE-1841169399, NE40786, TRA0013215, TC-154127, FT-0667632, ST24046759, X5264, 2,4-DIOXO-HEPTANOIC ACID ETHYL ESTER, EN300-29908, Z1245735236, 80540-58-5, ETHYL2,4-DIOXOHEPTANOATE, C9H14O4, AIDS191390, CID3006750, Ethyl 2,4-dioxoheptanoate, 97% - 1G 1g,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.207g/mol
Monoisotopic Mass	186.089g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number