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Home > Thiazole > 1190322-15-6
1190322-15-6 | 2(3H)-Benzothiazolone, 6-hydroxy-4-methyl-
CAS No: 1190322-15-6 Catalog No: AG000I19 MDL No:
Product Description
Catalog Number:
AG000I19
Chemical Name:
2(3H)-Benzothiazolone, 6-hydroxy-4-methyl-
CAS Number:
1190322-15-6
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
IUPAC Name:
6-hydroxy-4-methyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H7NO2S/c1-4-2-5(10)3-6-7(4)9-8(11)12-6/h2-3,10H,1H3,(H,9,11)
InChI Key:
GJWZRNDOYJNQFF-UHFFFAOYSA-N
SMILES:
Cc1cc(O)cc2c1[nH]c(=O)s2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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