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123312-57-2 | 2,8-Diazatetracyclo[4.3.0.03,9.04,7]nonane (9CI)
CAS No: 123312-57-2 Catalog No: AG000KBO MDL No:
Product Description
Catalog Number:
AG000KBO
Chemical Name:
2,8-Diazatetracyclo[4.3.0.03,9.04,7]nonane (9CI)
CAS Number:
123312-57-2
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
IUPAC Name:
2,8-diazatetracyclo[4.3.0.03,9.04,7]nonane
InChI:
InChI=1S/C7H10N2/c1-2-4-3(1)6-7(8-4)5(2)9-6/h2-9H,1H2
InChI Key:
WIEICOBSYHBNPQ-UHFFFAOYSA-N
SMILES:
C1C2C3C1C1NC2C1N3
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
122.171g/mol
Monoisotopic Mass:
122.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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