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94286-27-8 | 5H-Cyclopenta[b]pyridine-6,6,7,7-tetracarbonitrile, 5-phenyl-
CAS No: 94286-27-8 Catalog No: AG00H8OI MDL No:
Product Description
Catalog Number:
AG00H8OI
Chemical Name:
5H-Cyclopenta[b]pyridine-6,6,7,7-tetracarbonitrile, 5-phenyl-
CAS Number:
94286-27-8
Molecular Formula:
C18H9N5
Molecular Weight:
295.2976
IUPAC Name:
5-phenyl-5H-cyclopenta[b]pyridine-6,6,7,7-tetracarbonitrile
InChI:
InChI=1S/C18H9N5/c19-9-17(10-20)15(13-5-2-1-3-6-13)14-7-4-8-23-16(14)18(17,11-21)12-22/h1-8,15H
InChI Key:
QKICAYMKEAXUCM-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C(c2ccccc2)c2c(C1(C#N)C#N)nccc2
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.305g/mol
Monoisotopic Mass:
295.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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