Home Carboxys 5-(4-Cyanophenyl)furan-2-carboxylic acid methyl ester

5-(4-Cyanophenyl)furan-2-carboxylic acid methyl ester

CAS No.:
834884-75-2
Catalog Number:
AG0059F3
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$87
- +
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$847
- +
Product Description
Catalog Number:
AG0059F3
Chemical Name:
5-(4-Cyanophenyl)furan-2-carboxylic acid methyl ester
CAS Number:
834884-75-2
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD06797401
IUPAC Name:
methyl 5-(4-cyanophenyl)furan-2-carboxylate
InChI:
InChI=1S/C13H9NO3/c1-16-13(15)12-7-6-11(17-12)10-4-2-9(8-14)3-5-10/h2-7H,1H3
InChI Key:
KXWHTAUZNSVTPO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(o1)C(=O)OC
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties