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74675-53-9 | 4H-1,4-Benzothiazine-2,3-dicarboxylic acid, dimethyl ester
CAS No: 74675-53-9 Catalog No: AG005IHA MDL No:
Product Description
Catalog Number:
AG005IHA
Chemical Name:
4H-1,4-Benzothiazine-2,3-dicarboxylic acid, dimethyl ester
CAS Number:
74675-53-9
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
IUPAC Name:
dimethyl 4H-1,4-benzothiazine-2,3-dicarboxylate
InChI:
InChI=1S/C12H11NO4S/c1-16-11(14)9-10(12(15)17-2)18-8-6-4-3-5-7(8)13-9/h3-6,13H,1-2H3
InChI Key:
OGALIJUHGZEYKS-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(Nc2c(S1)cccc2)C(=O)OC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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