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10134-95-9,MFCD01929340
Catalog No.:AA00047K
10134-95-9 | Benzo[b]thiophene-4-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
2 weeks  
$115.00   $80.00
- +
250mg
98%
2 weeks  
$140.00   $98.00
- +
1g
98%
2 weeks  
$266.00   $187.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00047K
Chemical Name:
Benzo[b]thiophene-4-carboxylic acid
CAS Number:
10134-95-9
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD01929340
IUPAC Name:
1-benzothiophene-4-carboxylic acid
InChI:
InChI=1S/C9H6O2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H,(H,10,11)
InChI Key:
REVHWEJAHDLSTJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1ccs2
Properties
Computed Properties
 
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.205g/mol
Monoisotopic Mass:
178.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
benzo[b]thiophene-4-carboxylic acid 
10134-95-9 
DTXSID90359993 
REVHWEJAHDLSTJ-UHFFFAOYSA-N 
Benzo[b]thiophene-4-carboxylicacid 
ZINC730811 
KS-00000FQ1 
ANW-57162 
FCH832562 
MFCD01929340 
RB3274 
AKOS000282503 
Benzothiophene-4-carboxylic Acid 
DS-2214 
FS-3609 
MP-1405 
AJ-23840 
AB0037811 
AX8115920 
DB-008924 
TC-145907 
4CH-007067 
FT-0696408 
1-benzothiophene-4-carboxylic acid 
ST24030120 
Y5142 
501B174 
C9H6O2S 
Benzo[b]thiophene-7-carboxylic acid 
CID1051638 
FS002050 
10501-17-4 
AK-65237 
akos bc-0215 
AC1LKWC8 
4-benzothiophenecarboxylic acid 
SCHEMBL2083799 
CTK0H1721 
Literature
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