AG00AT97

1515923-85-9 | ETHYL 3-OXOBICYCLO[3.1.0]HEXANE-6-CARBOXYLATE

AG00AT97

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CAS Number	1515923-85-9
Catalog Number	AG00AT97
Chemical Name	ETHYL 3-OXOBICYCLO[3.1.0]HEXANE-6-CARBOXYLATE
IUPAC Name	ethyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
InChI	InChI=1S/C9H12O3/c1-2-12-9(11)8-6-3-5(10)4-7(6)8/h6-8H,2-4H2,1H3
InChI Key	KWLBCWQUIUVLCR-UHFFFAOYSA-N
MDL Number	MFCD26407213
Molecular Formula	C9H12O3
Molecular Weight	168.1898
SMILES	O=C1CC2C(C2C1)C(=O)OCC
Synonyms	ETHYL 3-OXOBICYCLO[3.1.0]HEXANE-6-CARBOXYLATE, 1515923-85-9, cis-Ethyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate, 1312536-44-9, SCHEMBL2013848, SCHEMBL15202827, MFCD26407213, AS-42392, X-3060,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.192g/mol
Monoisotopic Mass	168.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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