Home Carboxys 5-Cyanobenzofuran-2-carboxylic acid

5-Cyanobenzofuran-2-carboxylic acid

CAS No.:
84102-75-0
Catalog Number:
AG004SSV
Molecular Formula:
C10H5NO3
Molecular Weight:
187.1516
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Product Description
Catalog Number:
AG004SSV
Chemical Name:
5-Cyanobenzofuran-2-carboxylic acid
CAS Number:
84102-75-0
Molecular Formula:
C10H5NO3
Molecular Weight:
187.1516
MDL Number:
MFCD09837162
IUPAC Name:
5-cyano-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H5NO3/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4H,(H,12,13)
InChI Key:
UJQXZANNFIHPGV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc(o2)C(=O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.027g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.154g/mol
Monoisotopic Mass:
187.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties