名称: methyl 1-(2-ethynylphenyl)cyclopropanecarboxylate
SMILES:
C#Cc1ccccc1C1(C(=O)OC)CC1Molecular Processing
Molecular formula
C13H12O2
Molecular weight
200.24
Exact mass
200.0837
XLogP
1.87
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
57.31
Supplementary Information
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