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70685-30-2 | 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-3-oxo-
CAS No: 70685-30-2 Catalog No: AG005GUJ MDL No:
Product Description
Catalog Number:
AG005GUJ
Chemical Name:
2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-3-oxo-
CAS Number:
70685-30-2
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
IUPAC Name:
3-oxo-4H-1,4-benzothiazine-2-carboxylic acid
InChI:
InChI=1S/C9H7NO3S/c11-8-7(9(12)13)14-6-4-2-1-3-5(6)10-8/h1-4,7H,(H,10,11)(H,12,13)
InChI Key:
WBGQRBFYFFAULB-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2SC1C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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