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102539-79-7,MFCD07371542
Catalog No.:AA0007L9
102539-79-7 | 6-Methoxybenzo[b]thiophene-2-carboxylic acid
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1g
98%(HPLC)
in stock  
$654.00   $458.00
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5g
98%(HPLC)
in stock  
$2,135.00   $1,494.00
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  • Technical Information
  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0007L9
Chemical Name:
6-Methoxybenzo[b]thiophene-2-carboxylic acid
CAS Number:
102539-79-7
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD07371542
IUPAC Name:
6-methoxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12)
InChI Key:
XTXMOIBADXDEKF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(c2)C(=O)O
Properties
Computed 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:
2.8  

Synonyms
 
102539-79-7 
6-Methoxybenzo[b]thiophene-2-carboxylic acid 
DTXSID60608066 
ZLD0244 
XTXMOIBADXDEKF-UHFFFAOYSA-N 
ACT06120 
ALBB-028260 
0627AA 
ANW-59927 
MFCD07371542 
STL474497 
ZINC33358832 
6-methoxy-1-benzothiophene-2-carboxylic acid 
AKOS015917139 
MCULE-1577459000 
AJ-85860 
SC-21996 
DB-058821 
TC-148672 
FT-0646842 
Benzo[b]thiophene-2-carboxylicacid,6-methoxy- 
L-1329 
A800583 
6-Methoxy-benzo[b]thiophene-2-carboxylic acid 
S04-0038 
Z2694742530 
C10H8O3S 
6-Methoxybenzo[b]thiophene-2-carboxylicacid 
Benzo[b]thiophene-2-carboxylic acid, 6-methoxy- 
Benzo[b]thiophene-2-carboxylicacid, 6-methoxy- 
zlchem 785 
ACMC-1BS8C 
SCHEMBL914782 
CTK0H2436 
Literature
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