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468067-87-0

468067-87-0 | "6-oxo-1,6-dihydropyridazine-3-carbonitrile"

CAS No: 468067-87-0 Catalog No: AG01FN4W MDL No:MFCD22491595

Product Description

Catalog Number:
AG01FN4W
Chemical Name:
"6-oxo-1,6-dihydropyridazine-3-carbonitrile"
CAS Number:
468067-87-0
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
MDL Number:
MFCD22491595
IUPAC Name:
6-oxo-1H-pyridazine-3-carbonitrile
InChI:
InChI=1S/C5H3N3O/c6-3-4-1-2-5(9)8-7-4/h1-2H,(H,8,9)
InChI Key:
ZZONMTHZRYNTMT-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)C#N

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.028g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
121.099g/mol
Monoisotopic Mass:
121.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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