Home Carboxys 1-(cyanomethyl)-1H-pyrazole-5-carboxylic acid

1-(cyanomethyl)-1H-pyrazole-5-carboxylic acid

CAS No.:
1341431-40-0
Catalog Number:
AG01BU8Y
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
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Product Description
Catalog Number:
AG01BU8Y
Chemical Name:
1-(cyanomethyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
1341431-40-0
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
MDL Number:
MFCD20317506
IUPAC Name:
2-(cyanomethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H5N3O2/c7-2-4-9-5(6(10)11)1-3-8-9/h1,3H,4H2,(H,10,11)
InChI Key:
GTIJFHDCNGRNEJ-UHFFFAOYSA-N
SMILES:
N#CCn1nccc1C(=O)O
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:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties