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50930-96-6 | 4,7-Benzothiazoledione,6-hydroxy-(9CI)
CAS No: 50930-96-6 Catalog No: AG00DO0J MDL No:
Product Description
Catalog Number:
AG00DO0J
Chemical Name:
4,7-Benzothiazoledione,6-hydroxy-(9CI)
CAS Number:
50930-96-6
IUPAC Name:
4-hydroxy-1,3-benzothiazole-6,7-dione
InChI:
InChI=1S/C7H3NO3S/c9-3-1-4(10)6(11)7-5(3)8-2-12-7/h1-2,9H
InChI Key:
XSIWNIFVGPCFQD-UHFFFAOYSA-N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.165g/mol
Monoisotopic Mass:
180.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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