이름: 4-ethinylphenylacetic acid methyl ester
SMILES:
C#Cc1ccc(CC(=O)OC)cc1Molecular Processing
Molecular formula
C11H10O2
Molecular weight
174.2
Exact mass
174.0681
XLogP
1.38
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
50.1
Supplementary Information
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