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96489-25-7 | 2(3H)-Benzothiazolone, 6-hydroxy-3-methyl-
CAS No: 96489-25-7 Catalog No: AG00673P MDL No:
Product Description
Catalog Number:
AG00673P
Chemical Name:
2(3H)-Benzothiazolone, 6-hydroxy-3-methyl-
CAS Number:
96489-25-7
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
IUPAC Name:
6-hydroxy-3-methyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H7NO2S/c1-9-6-3-2-5(10)4-7(6)12-8(9)11/h2-4,10H,1H3
InChI Key:
OFRAGDTYBWBHTR-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)sc(=O)n2C
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:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Recent N-atom containing compounds from indo-pacific invertebrates. | Marine drugs 20100101 |
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