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16304-39-5 | Benzo[b]thiophene-3-carboxylic acid, 5-hydroxy-
CAS No: 16304-39-5 Catalog No: AG001TNL MDL No:MFCD18451796
Product Description
Catalog Number:
AG001TNL
Chemical Name:
Benzo[b]thiophene-3-carboxylic acid, 5-hydroxy-
CAS Number:
16304-39-5
Molecular Formula:
C9H6O3S
Molecular Weight:
194.2071
MDL Number:
MFCD18451796
IUPAC Name:
5-hydroxy-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C9H6O3S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H,(H,11,12)
InChI Key:
ZAZIPEFQVRYIGU-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(cs2)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.204g/mol
Monoisotopic Mass:
194.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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