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Home > Other Heterocycles > 1087800-62-1
1087800-62-1 | 3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-one
CAS No: 1087800-62-1 Catalog No: AG019QXY MDL No:MFCD13806443
Product Description
Catalog Number:
AG019QXY
Chemical Name:
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-one
CAS Number:
1087800-62-1
Molecular Formula:
C12H21NO
Molecular Weight:
195.3012
MDL Number:
MFCD13806443
IUPAC Name:
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C12H21NO/c1-12(2,3)13-7-9-5-4-6-10(8-13)11(9)14/h9-10H,4-8H2,1-3H3
InChI Key:
UDERNUUEIDSFRT-UHFFFAOYSA-N
SMILES:
CC(N1CC2CCCC(C1)C2=O)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.306g/mol
Monoisotopic Mass:
195.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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