الاسم: acetic acid 4-(4-methoxy-but-1-ynyl)-pyridin-3-yl ester
SMILES:
COCCC#Cc1ccncc1OC(C)=OMolecular Processing
Molecular formula
C12H13NO3
Molecular weight
219.24
Exact mass
219.0895
XLogP
1.39
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
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
0.333
Molar refractivity
58.92
Supplementary Information
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