Home Carboxys 5-(2-cyanophenoxymethyl)furan-2-carboxylic acid

5-(2-cyanophenoxymethyl)furan-2-carboxylic acid

CAS No.:
893743-98-1
Catalog Number:
AG019VCH
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
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Product Description
Catalog Number:
AG019VCH
Chemical Name:
5-(2-cyanophenoxymethyl)furan-2-carboxylic acid
CAS Number:
893743-98-1
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD06803155
IUPAC Name:
5-[(2-cyanophenoxy)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C13H9NO4/c14-7-9-3-1-2-4-11(9)17-8-10-5-6-12(18-10)13(15)16/h1-6H,8H2,(H,15,16)
InChI Key:
XYLIAFULSQAAKP-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OCc1ccc(o1)C(=O)O
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties