Home Carboxys 5-ethyl-1-benzofuran-3-carboxylic acid

5-ethyl-1-benzofuran-3-carboxylic acid

CAS No.:
1539820-78-4
Catalog Number:
AG01B8U8
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG01B8U8
Chemical Name:
5-ethyl-1-benzofuran-3-carboxylic acid
CAS Number:
1539820-78-4
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD21281684
IUPAC Name:
5-ethyl-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C11H10O3/c1-2-7-3-4-10-8(5-7)9(6-14-10)11(12)13/h3-6H,2H2,1H3,(H,12,13)
InChI Key:
VNWMEWXSWLJESC-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(co2)C(=O)O
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:
2.6  
Properties