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13090-20-5 | 2a,6b-Diazacyclopenta[cd]pentalene
CAS No: 13090-20-5 Catalog No: AG000V32 MDL No:
Product Description
Catalog Number:
AG000V32
Chemical Name:
2a,6b-Diazacyclopenta[cd]pentalene
CAS Number:
13090-20-5
Molecular Formula:
C8H6N2
Molecular Weight:
130.1466
IUPAC Name:
1,10-diazatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene
InChI:
InChI=1S/C8H6N2/c1-2-8-4-6-9-5-3-7(1)10(8)9/h1-6H
InChI Key:
MYPRJQFLVBPJIL-UHFFFAOYSA-N
SMILES:
c1cc2n3c1ccn3cc2
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.15g/mol
Monoisotopic Mass:
130.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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