Home Carboxys 2-Cyano-4-pyridine carboxylic acid methyl ester

2-Cyano-4-pyridine carboxylic acid methyl ester

CAS No.:
94413-64-6
Catalog Number:
AG00H7KD
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$23
- +
5g
95%
In Stock USA
United States
$53
- +
10g
95%
In Stock USA
United States
$82
- +
25g
95%
In Stock USA
United States
$136
- +
100g
95%
In Stock USA
United States
$332
- +
Product Description
Catalog Number:
AG00H7KD
Chemical Name:
2-Cyano-4-pyridine carboxylic acid methyl ester
CAS Number:
94413-64-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD07367894
IUPAC Name:
methyl 2-cyanopyridine-4-carboxylate
InChI:
InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,1H3
InChI Key:
ORVHMLCJEKDDAX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)C#N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties