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191031-02-4 | Benzo[b]thiophene-2,3-diol
CAS No: 191031-02-4 Catalog No: AG002F0R MDL No:
Product Description
Catalog Number:
AG002F0R
Chemical Name:
Benzo[b]thiophene-2,3-diol
CAS Number:
191031-02-4
Molecular Formula:
C8H6O2S
Molecular Weight:
166.1970
IUPAC Name:
1-benzothiophene-2,3-diol
InChI:
InChI=1S/C8H6O2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,9-10H
InChI Key:
NAIWWWQDHYGJOQ-UHFFFAOYSA-N
SMILES:
Oc1c(O)sc2c1cccc2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.194g/mol
Monoisotopic Mass:
166.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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