Home Carboxys 5-cyano-1-methyl-1H-pyrrole-2-carboxylic acid

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

CAS No.:
1378794-76-3
Catalog Number:
AG01AUX3
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
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Product Description
Catalog Number:
AG01AUX3
Chemical Name:
5-cyano-1-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1378794-76-3
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD20660170
IUPAC Name:
5-cyano-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H6N2O2/c1-9-5(4-8)2-3-6(9)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
FRHZAVVAGSNTDI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1C)C(=O)O
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:
0.6  
Properties