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88429-06-5

88429-06-5 | 1-Naphthalenecarbonitrile, 6-diazo-5,6-dihydro-5-oxo-

CAS No: 88429-06-5 Catalog No: AG004KCI MDL No:

Product Description

Catalog Number:
AG004KCI
Chemical Name:
1-Naphthalenecarbonitrile, 6-diazo-5,6-dihydro-5-oxo-
CAS Number:
88429-06-5
Molecular Formula:
C11H5N3O
Molecular Weight:
195.1769
IUPAC Name:
5-cyano-2-diazonionaphthalen-1-olate
InChI:
InChI=1S/C11H5N3O/c12-6-7-2-1-3-9-8(7)4-5-10(14-13)11(9)15/h1-5H
InChI Key:
ZOIHQXCDEJQBHQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=Cc2c(C1=O)cccc2C#N

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.181g/mol
Monoisotopic Mass:
195.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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