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165114-66-9 | 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
CAS No: 165114-66-9 Catalog No: AG00HZ4G MDL No:MFCD02325296
Product Description
Catalog Number:
AG00HZ4G
Chemical Name:
2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
CAS Number:
165114-66-9
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD02325296
IUPAC Name:
2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylic acid
InChI:
InChI=1S/C10H9NO3S/c1-10(9(13)14)8(12)11-6-4-2-3-5-7(6)15-10/h2-5H,1H3,(H,11,12)(H,13,14)
InChI Key:
KNYBGIVEDGJSBH-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2SC1(C)C(=O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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