AG003Q9F

10495-09-7 | Ethyl 4,4-diethoxy-3-oxobutanoate

AG003Q9F

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CAS Number	10495-09-7
Catalog Number	AG003Q9F(AGN-PC-0NGIKX)
Chemical Name	Ethyl 4,4-diethoxy-3-oxobutanoate
IUPAC Name	ethyl 4,4-diethoxy-3-oxobutanoate
InChI	InChI=1S/C10H18O5/c1-4-13-9(12)7-8(11)10(14-5-2)15-6-3/h10H,4-7H2,1-3H3
InChI Key	HYVRRAANXHHPGH-UHFFFAOYSA-N
MDL Number	MFCD22494947
Molecular Formula	C10H18O5
Molecular Weight	218.2469
SMILES	O=C(OCC)CC(C(OCC)OCC)=O
Synonyms	Ethyl 4,4-diethoxy-3-oxobutanoate, 10495-09-7, 4,4-diethoxy-3-oxo-butyric acid ethyl ester, Butanoic acid, 4,4-diethoxy-3-oxo-, ethyl ester, ethyl 4,4-diethoxyacetoacetate, Ethyl 4,4-diethoxy-3-oxo-butanoate, ethyl diethoxyacetoacetate, SCHEMBL138841, CTK0G5884, DTXSID00456624, HYVRRAANXHHPGH-UHFFFAOYSA-N, WT814, ANW-53002, MFCD22494947, ZINC37632394, AKOS015999786, KS-000001O6, ethyl 4,4-bis(ethyloxy)-3-oxobutanoate, AJ-94187, AK-94100, DS-17912, AB0004031, TC-141747, 3-Oxo-4,4-diethoxybutyric acid ethyl ester, ST24024916, X5514, Ethyl 4,4-diethoxy-3-oxobutanoate, AldrichCPR, Q-9123, 10495-09-7 ethyl 4,4-diethoxy-3-oxobutanoate, Z1741980079, C10H18O5, CID11138577,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.249g/mol
Monoisotopic Mass	218.115g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number