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80689-16-3 | 2(3H)-Benzothiazolone,6-methoxy-4-methyl-
CAS No: 80689-16-3 Catalog No: AG005246 MDL No:
Product Description
Catalog Number:
AG005246
Chemical Name:
2(3H)-Benzothiazolone,6-methoxy-4-methyl-
CAS Number:
80689-16-3
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
IUPAC Name:
6-methoxy-4-methyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H9NO2S/c1-5-3-6(12-2)4-7-8(5)10-9(11)13-7/h3-4H,1-2H3,(H,10,11)
InChI Key:
SOZONSXBIDNNRB-UHFFFAOYSA-N
SMILES:
Cc1cc(OC)cc2c1[nH]c(=O)s2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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