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198491-54-2 | 9-Azatricyclo[3.3.1.02,4]nonane (9CI)
CAS No: 198491-54-2 Catalog No: AG002BKD MDL No:
Product Description
Catalog Number:
AG002BKD
Chemical Name:
9-Azatricyclo[3.3.1.02,4]nonane (9CI)
CAS Number:
198491-54-2
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
IUPAC Name:
9-azatricyclo[3.3.1.02,4]nonane
InChI:
InChI=1S/C8H13N/c1-2-7-5-4-6(5)8(3-1)9-7/h5-9H,1-4H2
InChI Key:
SUMQPNSAOJTZFC-UHFFFAOYSA-N
SMILES:
C1CC2NC(C1)C1C2C1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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