Name: (3,5-dimethyl-1H-pyrazol-4-yl)acetic acid tert.-butyl ester
SMILES:
Cc1n[nH]c(C)c1CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C11H18N2O2
Molecular weight
210.28
Exact mass
210.1368
XLogP
1.91
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
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
0.636
Molar refractivity
57.61
Supplementary Information
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