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130593-22-5 | 2-Benzothiazolecarboxylic acid, 6-methoxy-4-methyl-
CAS No: 130593-22-5 Catalog No: AG000UOK MDL No:
Product Description
Catalog Number:
AG000UOK
Chemical Name:
2-Benzothiazolecarboxylic acid, 6-methoxy-4-methyl-
CAS Number:
130593-22-5
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
6-methoxy-4-methyl-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO3S/c1-5-3-6(14-2)4-7-8(5)11-9(15-7)10(12)13/h3-4H,1-2H3,(H,12,13)
InChI Key:
IIIOXICNDOIZNU-UHFFFAOYSA-N
SMILES:
COc1cc(C)c2c(c1)sc(n2)C(=O)O
Properties
Complexity:
261
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:
5
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:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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