Home Carboxys Methyl 5-amino-4-cyano-1h-pyrazole-1-carboxylate

Methyl 5-amino-4-cyano-1h-pyrazole-1-carboxylate

CAS No.:
220131-57-7
Catalog Number:
AG00CG89
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$4703
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Product Description
Catalog Number:
AG00CG89
Chemical Name:
Methyl 5-amino-4-cyano-1h-pyrazole-1-carboxylate
CAS Number:
220131-57-7
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD06135640
IUPAC Name:
methyl 5-amino-4-cyanopyrazole-1-carboxylate
InChI:
InChI=1S/C6H6N4O2/c1-12-6(11)10-5(8)4(2-7)3-9-10/h3H,8H2,1H3
InChI Key:
BCAGGGNPYWRFJL-UHFFFAOYSA-N
SMILES:
COC(=O)n1ncc(c1N)C#N
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties