AG002KZO

21080-80-8 | Cyclopropanebutanoic acid, α,γ-dioxo-, ethyl ester

AG002KZO

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CAS Number	21080-80-8
Catalog Number	AG002KZO(AGN-PC-015YMO)
Chemical Name	Cyclopropanebutanoic acid, α,γ-dioxo-, ethyl ester
IUPAC Name	ethyl 4-cyclopropyl-2,4-dioxobutanoate
InChI	InChI=1S/C9H12O4/c1-2-13-9(12)8(11)5-7(10)6-3-4-6/h6H,2-5H2,1H3
InChI Key	MHKXVJFDESXWFH-UHFFFAOYSA-N
MDL Number	MFCD09052462
Molecular Formula	C9H12O4
Molecular Weight	184.1892
SMILES	C1(CC1)C(CC(C(=O)OCC)=O)=O
Synonyms	ethyl 4-cyclopropyl-2,4-dioxobutanoate, 21080-80-8, MFCD09052462, 4-CYCLOPROPYL-2,4-DIOXO-BUTYRIC ACID ETHYL ESTER, cyclopropanebutanoic acid, alpha,gamma-dioxo-, ethyl ester, AC1Q31XT, SCHEMBL1694342, CTK6F3414, DTXSID90588367, MHKXVJFDESXWFH-UHFFFAOYSA-N, ALBB-028473, KS-00000R8I, ZINC19046060, AKOS000136056, ethyl4-cyclopropyl-2,4-dioxobutanoate, AB49606, MCULE-5858430432, AJ-70778, AK124412, BS-13825, CJ-15944, DA-43286, SY117217, DB-014021, FT-0755495, EN300-41906, MFCD09052462 (95%), K-6072, J-013825,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.191g/mol
Monoisotopic Mass	184.074g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number