Nombre: methyl 3-(4-hydroxyphenyl)hex-4-ynoate
SMILES:
CC#CC(CC(=O)OC)c1ccc(O)cc1Molecular Processing
Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
2.06
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
60.93
Supplementary Information
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