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116007-31-9 | 4,8-Methanopyrrolo[3,4-d]azepine (9CI)
CAS No: 116007-31-9 Catalog No: AG000BCX MDL No:
Product Description
Catalog Number:
AG000BCX
Chemical Name:
4,8-Methanopyrrolo[3,4-d]azepine (9CI)
CAS Number:
116007-31-9
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
IUPAC Name:
4,9-diazatricyclo[5.3.1.02,6]undeca-1(10),2,4,6,8-pentaene
InChI:
InChI=1S/C9H6N2/c1-6-2-10-3-7(1)9-5-11-4-8(6)9/h2-5H,1H2
InChI Key:
CUZPVZJSIZXOLT-UHFFFAOYSA-N
SMILES:
n1cc2Cc(c1)c1c2cnc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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