Name: 3-n-propylpyrazole-5-carboxylic acid ethyl ester
SMILES:
CCCc1cc(C(=O)OCC)[nH]n1Molecular Processing
Molecular formula
C9H14N2O2
Molecular weight
182.22
Exact mass
182.1055
XLogP
1.54
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
48.54
Supplementary Information
Details werden geladen…
An 31 Reaktionen beteiligt→