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52489-34-6,MFCD17257563
Catalog No.:AA01A2OR
52489-34-6 | 2-ethyl-1-benzofuran-3-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$302.00
- +
250mg
95.0%
3 weeks  
$418.00
- +
500mg
95.0%
3 weeks  
$756.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01A2OR
Chemical Name:
2-ethyl-1-benzofuran-3-carboxylic acid
CAS Number:
52489-34-6
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD17257563
IUPAC Name:
2-ethyl-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C11H10O3/c1-2-8-10(11(12)13)7-5-3-4-6-9(7)14-8/h3-6H,2H2,1H3,(H,12,13)
InChI Key:
TUGDACOXNMKOOC-UHFFFAOYSA-N
SMILES:
CCc1oc2c(c1C(=O)O)cccc2
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
2-ethyl-1-benzofuran-3-carboxylic acid 
52489-34-6 
2-ethyl-benzofuran-3-carboxylic acid 
SCHEMBL4670184 
MFCD17257563 
ZINC39305472 
AKOS009158110 
NE37086 
AS-44014 
2-ethylbenzofuran-3-carboxylic acid 
Literature
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