Home Carboxys 4-cyano-1-methyl-1H-pyrrole-2-carboxylic acid

4-cyano-1-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1375961-42-4
Catalog Number:
AG00J28D
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00J28D
Chemical Name:
4-cyano-1-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1375961-42-4
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD20660169
IUPAC Name:
4-cyano-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H6N2O2/c1-9-4-5(3-8)2-6(9)7(10)11/h2,4H,1H3,(H,10,11)
InChI Key:
LLTHJWLVXXYIQH-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c(c1)C(=O)O)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties