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132804-27-4 | 6-Azatricyclo[5.2.0.02,5]nonane (9CI)
CAS No: 132804-27-4 Catalog No: AG00116Y MDL No:
Product Description
Catalog Number:
AG00116Y
Chemical Name:
6-Azatricyclo[5.2.0.02,5]nonane (9CI)
CAS Number:
132804-27-4
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
IUPAC Name:
6-azatricyclo[5.2.0.02,5]nonane
InChI:
InChI=1S/C8H13N/c1-3-7-5(1)6-2-4-8(6)9-7/h5-9H,1-4H2
InChI Key:
JITSDPIIKOCLGP-UHFFFAOYSA-N
SMILES:
C1CC2C1NC1C2CC1
Properties
Complexity:
128
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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