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Home > Pyridines > 146076-50-8
146076-50-8 | 1H-Pyrrolo[3',4':3,4]cyclobuta[1,2-b]pyridine (9CI)
CAS No: 146076-50-8 Catalog No: AG001DNS MDL No:
Product Description
Catalog Number:
AG001DNS
Chemical Name:
1H-Pyrrolo[3',4':3,4]cyclobuta[1,2-b]pyridine (9CI)
CAS Number:
146076-50-8
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
IUPAC Name:
4,8-diazatricyclo[5.4.0.02,6]undeca-1(7),2,5,8,10-pentaene
InChI:
InChI=1S/C9H6N2/c1-2-6-7-4-10-5-8(7)9(6)11-3-1/h1-5,10H
InChI Key:
TWYGRFAOGNYXMW-UHFFFAOYSA-N
SMILES:
c1ccc2c(=C3C2=CN=C3)[nH]1
Properties
Complexity:
169
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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