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Home > Other Heterocycles > 522644-05-9
522644-05-9 | (1S,7R)-8-azabicyclo[5.2.0]nonan-9-one
CAS No: 522644-05-9 Catalog No: AG00J0CL MDL No:MFCD20481981
Product Description
Catalog Number:
AG00J0CL
Chemical Name:
(1S,7R)-8-azabicyclo[5.2.0]nonan-9-one
CAS Number:
522644-05-9
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD20481981
IUPAC Name:
(1S,7R)-8-azabicyclo[5.2.0]nonan-9-one
InChI:
InChI=1S/C8H13NO/c10-8-6-4-2-1-3-5-7(6)9-8/h6-7H,1-5H2,(H,9,10)/t6-,7+/m0/s1
InChI Key:
SLHBGSLJLMFFLM-NKWVEPMBSA-N
SMILES:
O=C1N[C@H]2[C@@H]1CCCCC2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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