AG00E9QL

630399-84-7 | 4-Cyclopropyl-3-oxo-butyric acid ethyl ester

AG00E9QL

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CAS Number	630399-84-7
Catalog Number	AG00E9QL(AGN-PC-0T7046)
Chemical Name	4-Cyclopropyl-3-oxo-butyric acid ethyl ester
IUPAC Name	ethyl 4-cyclopropyl-3-oxobutanoate
InChI	InChI=1S/C9H14O3/c1-2-12-9(11)6-8(10)5-7-3-4-7/h7H,2-6H2,1H3
InChI Key	CIAYBTYUFUUVDE-UHFFFAOYSA-N
MDL Number	MFCD06656674
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	O=C(OCC)CC(CC1CC1)=O
Synonyms	ethyl 4-cyclopropyl-3-oxobutanoate, 630399-84-7, 4-CYCLOPROPYL-3-OXO-BUTYRIC ACID ETHYL ESTER, SCHEMBL1015154, CTK5B7226, DTXSID80610747, CIAYBTYUFUUVDE-UHFFFAOYSA-N, Ethyl 4-cyclopropyl-3-oxobutyrate, AB1428, ANW-73396, KM0689, MFCD06656674, ZINC71619082, AKOS006292597, WT82646, AS-44575, CJ-21507, SC-12257, SY110446, AJ-118320, DB-073250, RT-009630, 4-cyclopropyl-3-oxobutanoic acid ethyl ester, AM20100556, FT-0602062, Cyclopropanebutanoicacid, b-oxo-, ethyl ester, ethyl 4-cyclopropyl-3-oxidanylidene-butanoate, MFCD06656674 (95%), A834173, F9995-2653, Ethyl4-cyclopropyl-3-oxobutanoate, 4-CYCLOPROPYL-3-OXO-BUTYRICACIDETHYLESTER,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.094g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.208g/mol
Monoisotopic Mass	170.094g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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