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83693-81-6 | 4,8-Methano-1H-pyrrolo[3,2-c]azocine(9CI)
CAS No: 83693-81-6 Catalog No: AG0056C0 MDL No:
Product Description
Catalog Number:
AG0056C0
Chemical Name:
4,8-Methano-1H-pyrrolo[3,2-c]azocine(9CI)
CAS Number:
83693-81-6
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
IUPAC Name:
5,11-diazatricyclo[6.3.1.02,6]dodeca-1(11),2(6),3,7,9-pentaene
InChI:
InChI=1S/C10H8N2/c1-3-11-9-5-7(1)6-10-8(9)2-4-12-10/h1-4,6,12H,5H2
InChI Key:
QBLMQPCAPSVSJU-UHFFFAOYSA-N
SMILES:
C1=CC2=Cc3c(C(=N1)C2)cc[nH]3
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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