CAS 1442437-21-9

1 2D Structure

CAS 1442437-21-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-6-oxo-1H-pyridazine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C5H4N2O4/c8-2-1-3(9)6-7-4(2)5(10)11/h1H,(H,10,11)(H2,6,8,9)

2.1.3 InChI Key

XCNDXNJULVWJCE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=NNC1=O)C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1442437-21-9

2. 4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylic Acid

3. 1823277-97-9

4. 4-hydroxy-6-oxo-1h-pyridazine-3-carboxylic Acid

5. Mfcd30489098

6. 3-pyridazinecarboxylic Acid, 1,6-dihydro-4-hydroxy-6-oxo-

7. Schembl15111615

8. Bcp33977

9. Akos030527475

10. As-70393

11. Sy271720

12. Cs-0130938

13. En300-111159

14. W15300

15. W19694

16. A901279

17. 4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylicacid

18. Z1431403161

2.3 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₄N₂O₄
Molecular Weight	156.10 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	99
Heavy Atom Count	11
Formal Charge	0
Complexity	278
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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