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1245645-37-7 | 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-acetyl-, 1,1-dimethylethyl ester, (1α,5α)-
CAS No: 1245645-37-7 Catalog No: AG000M9F MDL No:MFCD16659709
Product Description
Catalog Number:
AG000M9F
Chemical Name:
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-acetyl-, 1,1-dimethylethyl ester, (1α,5α)-
CAS Number:
1245645-37-7
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD16659709
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
SMILES:
CC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C
Properties
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
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