Home Carboxys 2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-7-carboxylic acid hydrate

2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-7-carboxylic acid hydrate

CAS No.:
1423024-87-6
Catalog Number:
AG01A3BN
Molecular Formula:
C8H8N2O4S
Molecular Weight:
228.2251
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Product Description
Catalog Number:
AG01A3BN
Chemical Name:
2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-7-carboxylic acid hydrate
CAS Number:
1423024-87-6
Molecular Formula:
C8H8N2O4S
Molecular Weight:
228.2251
MDL Number:
MFCD18260664
IUPAC Name:
2-oxo-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylic acid;hydrate
InChI:
InChI=1S/C8H6N2O3S.H2O/c11-6-3-14-7-5(10-6)1-4(2-9-7)8(12)13;/h1-2H,3H2,(H,10,11)(H,12,13);1H2
InChI Key:
WFZWNJKDMZZCFB-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cc(cn2)C(=O)O.O
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.222g/mol
Monoisotopic Mass:
228.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties