AG000M9F

1245645-37-7 | 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-acetyl-, 1,1-dimethylethyl ester, (1α,5α)-

AG000M9F

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CAS Number	1245645-37-7
Catalog Number	AG000M9F(AGN-PC-0WAMOB)
Chemical Name	3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-acetyl-, 1,1-dimethylethyl ester, (1α,5α)-
IUPAC Name	tert-butyl (1S,5R)-6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChI	InChI=1S/C12H19NO3/c1-7(14)10-8-5-13(6-9(8)10)11(15)16-12(2,3)4/h8-10H,5-6H2,1-4H3/t8-,9+,10?
InChI Key	ZWCSPNASTQNGJH-ULKQDVFKSA-N
MDL Number	MFCD16659709
Molecular Formula	C12H19NO3
Molecular Weight	225.2842
SMILES	O=C(N2C[C@]1([H])C(C(C)=O)[C@@]([H])1C2)OC(C)(C)C
Synonyms	cis-tert-butyl 6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, 1245645-37-7, AK-37700, SCHEMBL16249225, SCHEMBL16249229, MFCD16659709, ZINC49587282, ZINC100059072, ZINC242750690, FCH3562670, DS-12784, AJ-111297, ST24046353, S14-1573, tert-butyl (1R,5S)-6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, ZWCSPNASTQNGJH-ULKQDVFKSA-N,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	225.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.288g/mol
Monoisotopic Mass	225.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number