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59648-14-5 | Pyridazine-4,5-dicarboxylic acid
CAS No: 59648-14-5 Catalog No: AG003U20 MDL No:MFCD06742784
Product Description
Catalog Number:
AG003U20
Chemical Name:
Pyridazine-4,5-dicarboxylic acid
CAS Number:
59648-14-5
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD06742784
IUPAC Name:
pyridazine-4,5-dicarboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-5(10)3-1-7-8-2-4(3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChI Key:
YRTBTTMXMPXJBB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnncc1C(=O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.108g/mol
Monoisotopic Mass:
168.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| 4-(4-Pyrid-yl)pyridinium penta-aqua(pyridazine-4,5-dicarboxyl-ato)praseodymate(III). | Acta crystallographica. Section E, Structure reports online 20101001 |
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