Home Carboxys 3-(3-cyanophenoxymethyl)furan-2-carboxylic acid

3-(3-cyanophenoxymethyl)furan-2-carboxylic acid

CAS No.:
1094298-96-0
Catalog Number:
AG01A9JP
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
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Product Description
Catalog Number:
AG01A9JP
Chemical Name:
3-(3-cyanophenoxymethyl)furan-2-carboxylic acid
CAS Number:
1094298-96-0
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD11543928
IUPAC Name:
3-[(3-cyanophenoxy)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C13H9NO4/c14-7-9-2-1-3-11(6-9)18-8-10-4-5-17-12(10)13(15)16/h1-6H,8H2,(H,15,16)
InChI Key:
VDDBJFOSFGMLPO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OCc1ccoc1C(=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  
Properties