Home Carboxys Methyl 3-cyano-1h-pyrazole-4-carboxylate

Methyl 3-cyano-1h-pyrazole-4-carboxylate

CAS No.:
33090-69-6
Catalog Number:
AG00CMJO
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
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Product Description
Catalog Number:
AG00CMJO
Chemical Name:
Methyl 3-cyano-1h-pyrazole-4-carboxylate
CAS Number:
33090-69-6
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
MDL Number:
MFCD18830810
IUPAC Name:
methyl 5-cyano-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C6H5N3O2/c1-11-6(10)4-3-8-9-5(4)2-7/h3H,1H3,(H,8,9)
InChI Key:
BJEKUJBQGOTHNW-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1C#N
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.125g/mol
Monoisotopic Mass:
151.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties