AG007MHP

134176-18-4 | rel-Ethyl (1R,5S,6R)-2-oxobicyclo[3.1.0]hexane-6-carboxylate

AG007MHP

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CAS Number	134176-18-4
Catalog Number	AG007MHP(AGN-PC-008LN1)
Chemical Name	rel-Ethyl (1R,5S,6R)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
IUPAC Name	ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
InChI	InChI=1S/C9H12O3/c1-2-12-9(11)8-5-3-4-6(10)7(5)8/h5,7-8H,2-4H2,1H3
InChI Key	WTXWGJHLNCVWJH-UHFFFAOYSA-N
MDL Number	MFCD22572439
Molecular Formula	C9H12O3
Molecular Weight	168.1898
SMILES	O=C(C1C2CCC(C12)=O)OCC
Synonyms	Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate, 134176-18-4, WTXWGJHLNCVWJH-UHFFFAOYSA-N, Bicyclo[3.1.0]hexane-6-carboxylicacid,2-oxo-,ethylester,(1R,5S,6R)-rel-, AC1LBW6L, ACMC-1BZ3M, SCHEMBL568634, AMOT0194, CTK0G9994, KS-00000QBJ, DTXSID60340510, 6167AA, ANW-65085, MFCD22572439, AKOS016005015, AM85560, DS-4019, EBD2216661, AK103129, ST2406902, TC-153830, 4CH-016976, CS-0062436, FT-0697579, ethyl 4-oxobicyclo[3.1.0]hexane-6-carboxylate, Ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate #, (1SR,5RS,6SR)Ethyl 2-Oxobicyclo[3.1.0]hexane-6-carboxylate, (1SR,5RS,6SR) ethyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate, ethyl (1SR,5RS,6SR)-2-oxo-bicyclo[3.1.0]hexane-6-carboxylate, (1RS,5SR,6RS)-2-Oxo-bicyclo[3,1,0]hexane-6-carboxylic acid ethyl ester, racemic ethyl (1SR,5RS,6SR)-2-oxobicyclo[3.1.0]hexane-6-carboxylate, racemic ethyl(1SR,5RS,6SR)-2-oxobicyclo [3.1.0]hexane-6-carboxylate, racemic ethyl(1SR,5RS,6SR)-2-oxobicyclo[3.1.0]hexane-6-carboxylate, Bicyclo[3.1.0]hexane-6-carboxylic acid, 2-oxo-, ethyl ester, (1.alpha.,5.alpha.,6.beta.)-, C9H12O3, CID565357,

Complexity	234
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	3
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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