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Home > Other Heterocycles > 1087789-17-0
1087789-17-0 | 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one
CAS No: 1087789-17-0 Catalog No: AG019UNM MDL No:MFCD13806387
Product Description
Catalog Number:
AG019UNM
Chemical Name:
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one
CAS Number:
1087789-17-0
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
MDL Number:
MFCD13806387
IUPAC Name:
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one
InChI:
InChI=1S/C11H19NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-9H,4-7H2,1-3H3
InChI Key:
ULYNZYHJGBWFLO-UHFFFAOYSA-N
SMILES:
CC(N1CC2CCC(C1)C2=O)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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