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Home Carboxys 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic methyl ester-1,1-dioxide

2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic methyl ester-1,1-dioxide

CAS No.:
35511-15-0
Catalog Number:
AG00I71T
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$65
- +
5g
98%
In Stock USA
United States
$179
- +
10g
98%
In Stock USA
United States
$278
- +
25g
98%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG00I71T
Chemical Name:
2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic methyl ester-1,1-dioxide
CAS Number:
35511-15-0
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
MDL Number:
MFCD00071766
IUPAC Name:
methyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
InChI:
InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3
InChI Key:
NGHIOTWSWSQQNT-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
EC Number:
252-601-4
UNII:
Z7C4J6BW2K
Properties
Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.036g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.271g/mol
Monoisotopic Mass:
269.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties