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68252-54-0 | 4,7-Benzothiazolediol,2-methyl-(9CI)
CAS No: 68252-54-0 Catalog No: AG00FJWI MDL No:
Product Description
Catalog Number:
AG00FJWI
Chemical Name:
4,7-Benzothiazolediol,2-methyl-(9CI)
CAS Number:
68252-54-0
IUPAC Name:
6-methyl-4H-cyclopenta[b][1,4]thiazine-5,6-diol
InChI:
InChI=1S/C8H9NO2S/c1-8(11)4-5-6(7(8)10)9-2-3-12-5/h2-4,9-11H,1H3
InChI Key:
LHJJHNPFDMGTGH-UHFFFAOYSA-N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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