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1190311-50-2 | 6-Benzothiazolecarboxylic acid, 2,3-dihydro-4-methyl-2-oxo-, methyl ester
CAS No: 1190311-50-2 Catalog No: AG000HH7 MDL No:
Product Description
Catalog Number:
AG000HH7
Chemical Name:
6-Benzothiazolecarboxylic acid, 2,3-dihydro-4-methyl-2-oxo-, methyl ester
CAS Number:
1190311-50-2
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
methyl 4-methyl-2-oxo-3H-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C10H9NO3S/c1-5-3-6(9(12)14-2)4-7-8(5)11-10(13)15-7/h3-4H,1-2H3,(H,11,13)
InChI Key:
WBTDUYMAJIKOMF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c2c(c1)sc(=O)[nH]2
Properties
Complexity:
294
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:
1
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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