AG00CLYN

335599-07-0 | 3-Oxabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester(9CI)

AG00CLYN

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CAS Number	335599-07-0
Catalog Number	AG00CLYN(AGN-PC-00JVCH)
Chemical Name	3-Oxabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester(9CI)
IUPAC Name	ethyl 3-oxabicyclo[3.1.0]hexane-6-carboxylate
InChI	InChI=1S/C8H12O3/c1-2-11-8(9)7-5-3-10-4-6(5)7/h5-7H,2-4H2,1H3
InChI Key	XAESUVRCRNJFDR-UHFFFAOYSA-N
MDL Number	MFCD01606212
Molecular Formula	C8H12O3
Molecular Weight	156.1791
SMILES	CCOC(=O)C1C2COCC12
Synonyms	335599-07-0, Ethyl 3-oxa-bicyclo[3.1.0]hexane-6-carboxylate, ethyl 3-oxabicyclo[3.1.0]hexane-6-carboxylate, 3-OXABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID ETHYL ESTER, SCHEMBL1614134, CTK4H0841, DTXSID80512055, 3931AB, ANW-69099, MFCD01606212, AKOS016005787, AK-46868, DS-14151, TC-157844, CS-0043934, 3-Oxabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester(9CI), C8H12O3, 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester (9CI),

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.181g/mol
Monoisotopic Mass	156.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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