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7234-82-4 | 3,7-Diazatricyclo[4.2.2.22,5]dodeca-3,3,7,9-tetraene
CAS No: 7234-82-4 Catalog No: AG005I5B MDL No:
Product Description
Catalog Number:
AG005I5B
Chemical Name:
3,7-Diazatricyclo[4.2.2.22,5]dodeca-3,3,7,9-tetraene
CAS Number:
7234-82-4
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
IUPAC Name:
3,7-diazatricyclo[4.2.2.22,5]dodeca-3,7,9-triene
InChI:
InChI=1S/C10H12N2/c1-3-9-8-2-4-10(12-6-8)7(1)5-11-9/h1,3,5-10H,2,4H2
InChI Key:
UMFJYEXDVCTMQZ-UHFFFAOYSA-N
SMILES:
C1=CC2C=NC1C1CCC2N=C1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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