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Home > Other Heterocycles > 159172-92-6
159172-92-6 | 3-Azabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-, (1R,5S)-
CAS No: 159172-92-6 Catalog No: AG001QJ6 MDL No:
Product Description
Catalog Number:
AG001QJ6
Chemical Name:
3-Azabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-, (1R,5S)-
CAS Number:
159172-92-6
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C7H11NO/c1-7(2)4-3-8-6(9)5(4)7/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChI Key:
NOEANOXILSYOIN-WHFBIAKZSA-N
SMILES:
O=C1NC[C@H]2[C@@H]1C2(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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