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Home > Other Heterocycles > 4390-39-0
4390-39-0 | 9-Azabicyclo[3.3.1]nonan-3-one
CAS No: 4390-39-0 Catalog No: AG0037GP MDL No:MFCD07780805
Product Description
Catalog Number:
AG0037GP
Chemical Name:
9-Azabicyclo[3.3.1]nonan-3-one
CAS Number:
4390-39-0
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD07780805
IUPAC Name:
9-azabicyclo[3.3.1]nonan-3-one
InChI:
InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2
InChI Key:
JIYPUEZSSJAXBO-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC(C1)N2
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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