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Home > Other Heterocycles > 1240526-77-5
1240526-77-5 | 3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-one
CAS No: 1240526-77-5 Catalog No: AG019RC4 MDL No:MFCD19442721
Product Description
Catalog Number:
AG019RC4
Chemical Name:
3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-one
CAS Number:
1240526-77-5
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
MDL Number:
MFCD19442721
IUPAC Name:
3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-one
InChI:
InChI=1S/C10H17NO/c1-10(2,3)11-5-7-4-8(6-11)9(7)12/h7-8H,4-6H2,1-3H3
InChI Key:
NFEBNYHBATVLQS-UHFFFAOYSA-N
SMILES:
CC(N1CC2CC(C1)C2=O)(C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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