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70453-96-2 | 3,4-Pyridazinedione, 5-diazo-2,5-dihydro-2-phenyl-
CAS No: 70453-96-2 Catalog No: AG005IW9 MDL No:
Product Description
Catalog Number:
AG005IW9
Chemical Name:
3,4-Pyridazinedione, 5-diazo-2,5-dihydro-2-phenyl-
CAS Number:
70453-96-2
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
IUPAC Name:
5-diazonio-3-oxo-2-phenylpyridazin-4-olate
InChI:
InChI=1S/C10H6N4O2/c11-13-8-6-12-14(10(16)9(8)15)7-4-2-1-3-5-7/h1-6H
InChI Key:
AWLCOWLTSRNXHQ-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C(=[N+]=[N-])C=NN1c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.184g/mol
Monoisotopic Mass:
214.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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