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Piroxicam Impurity 19

CAT: 1299-RM-P240319-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P240319-01Size:10 mg
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CAS Number
112391-26-1
Synonyms
4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylic acid 1,1-dioxide
Molecular Formula
C9H7NO5S
Molecular Weight
241.22
Target Alternative Name
Piroxicam
Product Name Synonym
4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylic acid 1,1-dioxide

Chemical Information

4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylic acid 1,1-dioxide
CAS Number112391-26-1
PubChem CID54719422
IUPAC Name4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylic acid
Molecular FormulaC9H7NO5S
Molecular Weight241.22
XLogP0.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity447
SMILES
C1=CC=C2C(=C1)C(=C(NS2(=O)=O)C(=O)O)O
InChI
InChI=1S/C9H7NO5S/c11-8-5-3-1-2-4-6(5)16(14,15)10-7(8)9(12)13/h1-4,10-11H,(H,12,13)
InChIKey
NBICRQSSKKUVNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylic acid 1,1-dioxide
CAS: 112391-26-1
CID: 54719422
Formula: C9H7NO5S
MW: 241.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.22
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass241.00449350
Monoisotopic Mass241.00449350
Topological Polar Surface Area112 Ų
Heavy Atom Count16
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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