CAS 51498-37-4

1 2D Structure

CAS 51498-37-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-oxo-1H-pyridine-3-sulfonic acid

2.1.2 InChI

InChI=1S/C5H5NO4S/c7-4-1-2-6-3-5(4)11(8,9)10/h1-3H,(H,6,7)(H,8,9,10)

2.1.3 InChI Key

AZRCSTMIVMQIPR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CNC=C(C1=O)S(=O)(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 51498-37-4

2. 4-hydroxy-3-pyridinesulfonic Acid

3. 4-hydroxypyridine-3-sulphonic Acid

4. 4-oxo-1h-pyridine-3-sulfonic Acid

5. 4-hydroxy-3-pyridinesulphonic Acid

6. 3-pyridinesulfonic Acid, 4-hydroxy-

7. Hydroxypyridinesulfonicacid

8. Mfcd02093473

9. 4-hydroxypyridine-3-sulfonicacid

10. 4-hydroxypyridie-3-sulphonic Acid

11. Einecs 257-243-2

12. Schembl18222

13. 4-pyridinol-3-sulfonic Acid

14. Dtxsid10199479

15. Azrcstmivmqipr-uhfffaoysa-n

16. 4-hydroxy-pyridine-3-sulphonic Acid

17. Akos002665616

18. Ac-2049

19. Cs-w017459

20. As-13103

21. Sy022662

22. 4-oxo-1,4-dihydro-3-pyridinesulfonic Acid

23. A7589

24. Ft-0618745

25. H0963

26. En300-157417

27. I10131

28. W-105883

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₅NO₄S
Molecular Weight	175.16 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	91.8
Heavy Atom Count	11
Formal Charge	0
Complexity	332
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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CAS 51498-37-4

Chemistry

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