Name: 3-ethinylbenzoic acid methyl ester
SMILES:
C#Cc1cccc(C(=O)OC)c1Molecular Processing
Molecular formula
C10H8O2
Molecular weight
160.17
Exact mass
160.0524
XLogP
1.45
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
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
0.1
Molar refractivity
45.72
Supplementary Information
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Involved in 9 reactions→