الاسم: 4-Cyano-2H-pyrazole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1[nH]ncc1C#NMolecular Processing
Molecular formula
C7H7N3O2
Molecular weight
165.15
Exact mass
165.0538
XLogP
0.46
TPSA
78.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
39.26
Supplementary Information
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