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Home > Other Heterocycles > 295359-16-9
295359-16-9 | 2-Azabicyclo[4.1.1]octan-3-one, 5,7,7-trimethyl-
CAS No: 295359-16-9 Catalog No: AG002YOC MDL No:
Product Description
Catalog Number:
AG002YOC
Chemical Name:
2-Azabicyclo[4.1.1]octan-3-one, 5,7,7-trimethyl-
CAS Number:
295359-16-9
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
5,7,7-trimethyl-2-azabicyclo[4.1.1]octan-3-one
InChI:
InChI=1S/C10H17NO/c1-6-4-9(12)11-8-5-7(6)10(8,2)3/h6-8H,4-5H2,1-3H3,(H,11,12)
InChI Key:
YDTXUIIAVPEWLV-UHFFFAOYSA-N
SMILES:
O=C1CC(C)C2CC(N1)C2(C)C
NSC Number:
656400
Properties
Complexity:
222
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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