Home Carboxys 2-ethyl-1-benzofuran-3-carboxylic acid

2-ethyl-1-benzofuran-3-carboxylic acid

CAS No.:
52489-34-6
Catalog Number:
AG01A2RJ
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG01A2RJ
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
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  
Properties