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13134-76-4 | Benzo[b]thiophene-2-carboxylic acid, 3-hydroxy-, methyl ester
CAS No: 13134-76-4 Catalog No: AG000VZ9 MDL No:MFCD00067732
Product Description
Catalog Number:
AG000VZ9
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-hydroxy-, methyl ester
CAS Number:
13134-76-4
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD00067732
IUPAC Name:
methyl 3-hydroxy-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H8O3S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H,1H3
InChI Key:
KNSQDHMBDAMMNO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1O)cccc2
EC Number:
236-066-4
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.231g/mol
Monoisotopic Mass:
208.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Efficient synthesis and 5-LOX/COX-inhibitory activity of some 3-hydroxybenzo[b]thiophene-2-carboxylic acid derivatives. | Bioorganic & medicinal chemistry letters 20120801 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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