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90524-22-4

90524-22-4 | 1H-Imidazole-4,5-dicarbonitrile, 2-[(2,2-dimethoxyethenyl)azo]-

CAS No: 90524-22-4 Catalog No: AG006CP3 MDL No:

Product Description

Catalog Number:
AG006CP3
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 2-[(2,2-dimethoxyethenyl)azo]-
CAS Number:
90524-22-4
Molecular Formula:
C9H8N6O2
Molecular Weight:
232.1988
IUPAC Name:
2-(2,2-dimethoxyethenyldiazenyl)-1H-imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C9H8N6O2/c1-16-8(17-2)5-12-15-9-13-6(3-10)7(4-11)14-9/h5H,1-2H3,(H,13,14)
InChI Key:
PWADGSXOTUQTER-UHFFFAOYSA-N
SMILES:
COC(=CN=Nc1nc(c([nH]1)C#N)C#N)OC
NSC Number:
634550

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.203g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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