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112701-81-2 | Propanedinitrile, (2-phenyl-3H-indol-3-ylidene)-, N-oxide
CAS No: 112701-81-2 Catalog No: AG0079AU MDL No:
Product Description
Catalog Number:
AG0079AU
Chemical Name:
Propanedinitrile, (2-phenyl-3H-indol-3-ylidene)-, N-oxide
CAS Number:
112701-81-2
Molecular Formula:
C17H9N3O
Molecular Weight:
271.2729
IUPAC Name:
3-oxidoazaniumylidyne-2-(2-phenylindol-3-ylidene)propanenitrile
InChI:
InChI=1S/C17H9N3O/c18-10-13(11-19-21)16-14-8-4-5-9-15(14)20-17(16)12-6-2-1-3-7-12/h1-9H
InChI Key:
IGSAAJVNUYXWOJ-UHFFFAOYSA-N
SMILES:
[O-][N+]#CC(=C1C(=Nc2c1cccc2)c1ccccc1)C#N
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.279g/mol
Monoisotopic Mass:
271.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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