Home Carboxys 1H-Pyrazole-4-carboxylicacid,5-cyano-1-methyl-(9CI)

1H-Pyrazole-4-carboxylicacid,5-cyano-1-methyl-(9CI)

CAS No.:
81303-59-5
Catalog Number:
AG00GDY6
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
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Product Description
Catalog Number:
AG00GDY6
Chemical Name:
1H-Pyrazole-4-carboxylicacid,5-cyano-1-methyl-(9CI)
CAS Number:
81303-59-5
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
MDL Number:
MFCD18809708
IUPAC Name:
5-cyano-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H5N3O2/c1-9-5(2-7)4(3-8-9)6(10)11/h3H,1H3,(H,10,11)
InChI Key:
APYZHOYUMGSTHY-UHFFFAOYSA-N
SMILES:
N#Cc1n(C)ncc1C(=O)O
Properties
Complexity:
219  
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:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties