AG002PVL

24922-01-8 | Cyclobutanepropanoic acid, β-oxo-, ethyl ester

AG002PVL

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CAS Number	24922-01-8
Catalog Number	AG002PVL(AGN-PC-03GK8U)
Chemical Name	Cyclobutanepropanoic acid, β-oxo-, ethyl ester
IUPAC Name	ethyl 3-cyclobutyl-3-oxopropanoate
InChI	InChI=1S/C9H14O3/c1-2-12-9(11)6-8(10)7-4-3-5-7/h7H,2-6H2,1H3
InChI Key	HYHZQZSNOAJEPU-UHFFFAOYSA-N
MDL Number	MFCD06410651
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	O=C(OCC)CC(C1CCC1)=O
Synonyms	ethyl 3-cyclobutyl-3-oxopropanoate, 24922-01-8, 3-CYCLOBUTYL-3-OXO-PROPIONIC ACID ETHYL ESTER, ethyl3-cyclobutyl-3-oxopropanoate, MFCD06410651, Cyclobutanepropanoicacid, b-oxo-, ethyl ester, SCHEMBL2005270, CTK4F4634, KS-00000BED, DTXSID20618742, HYHZQZSNOAJEPU-UHFFFAOYSA-N, 1929AB, Ethyl 3-Cyclobutyl-3-oxo-propionate, ZINC35633021, AKOS005256271, Ethyl 3-(cyclobutyl)-3-oxopropanoate, AB24797, CM10394, TRA0051685, ACM24922018, AJ-91864, AK-82411, BC650561, CJ-18801, CS-11090, OR451071, SY005174, AB1000377, AX8086369, DB-013070, TC-308244, FT-0693319, ST24046950, K-6605, MFCD06410651 (95+%), Cyclobutanepropanoic acid, beta-oxo-, ethyl ester, I14-20100, F1967-2551, null, C9H14O3, 1001-26-9, 34916-10-4,

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	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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