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16044-44-3 | 3,6-Pyridazinedione, 1-acetyl-1,2-dihydro-
CAS No: 16044-44-3 Catalog No: AG001RXN MDL No:
Product Description
Catalog Number:
AG001RXN
Chemical Name:
3,6-Pyridazinedione, 1-acetyl-1,2-dihydro-
CAS Number:
16044-44-3
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
2-acetyl-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C6H6N2O3/c1-4(9)8-6(11)3-2-5(10)7-8/h2-3H,1H3,(H,7,10)
InChI Key:
VYLGKHOSCXXTEU-UHFFFAOYSA-N
SMILES:
O=c1ccc(=O)n([nH]1)C(=O)C
NSC Number:
71107
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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