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Home > Other Heterocycles > 94827-95-9
94827-95-9 | 3-Azabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-
CAS No: 94827-95-9 Catalog No: AG0068EC MDL No:MFCD24603295
Product Description
Catalog Number:
AG0068EC
Chemical Name:
3-Azabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-
CAS Number:
94827-95-9
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
MDL Number:
MFCD24603295
IUPAC Name:
1,4,4-trimethyl-3-azabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C10H17NO/c1-9(2)7-4-5-10(3,6-7)8(12)11-9/h7H,4-6H2,1-3H3,(H,11,12)
InChI Key:
PBWHMIKVKLPBCY-UHFFFAOYSA-N
SMILES:
O=C1NC(C)(C)C2CC1(C)CC2
Properties
Complexity:
234
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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