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133044-45-8 | 2(3H)-Benzothiazolone, 6-acetyl-3-methyl-
CAS No: 133044-45-8 Catalog No: AG0011KH MDL No:
Product Description
Catalog Number:
AG0011KH
Chemical Name:
2(3H)-Benzothiazolone, 6-acetyl-3-methyl-
CAS Number:
133044-45-8
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
6-acetyl-3-methyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H9NO2S/c1-6(12)7-3-4-8-9(5-7)14-10(13)11(8)2/h3-5H,1-2H3
InChI Key:
VKEXAJZXSVQJLQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)sc(=O)n2C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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