Home Carboxes 10134-98-2
10134-98-2,MFCD08572208
Catalog No.:AA00047J
10134-98-2 | Benzo[b]thiophene-7-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$187.00   $131.00
- +
500mg
95.0%
3 weeks  
$287.00   $201.00
- +
1g
95.0%
3 weeks  
$403.00   $282.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00047J
Chemical Name:
Benzo[b]thiophene-7-carboxylic acid
CAS Number:
10134-98-2
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD08572208
IUPAC Name:
1-benzothiophene-7-carboxylic acid
InChI:
InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)
InChI Key:
LJPSRTWIAXVPIS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1scc2
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-7-carboxylic acid 
10134-98-2 
MFCD08572208 
SBB089420 
ZINC12370194 
AKOS003237319 
AB45816 
MCULE-6934406879 
NE18509 
PS-3540 
RP03105 
AJ-61760 
1-Benzothiophene-7-carboxylic acid 
DB-010716 
TR-000366 
FT-0730030 
Y6793 
benzo[b]thiophene-7-carboxylic acid, AldrichCPR 
I04-1286 
W-204408 
Z1814381623 
C9H6O2S 
FS002050 
benzo[b]thiophene-7-carboxylicacid 
A16270 
10134-95-9 
7-Carboxybenzo[b]thiophene 
SCHEMBL1476003 
CTK0H3519 
DTXSID00557786 
LJPSRTWIAXVPIS-UHFFFAOYSA-N 
KS-000029YT 
Literature
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