Название: 4-(3-hydroxy-prop-1-ynyl)-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(C#CCO)cc1Molecular Processing
Molecular formula
C11H10O3
Molecular weight
190.2
Exact mass
190.063
XLogP
0.82
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
51.75
Supplementary Information
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