이름: 2-(2-methoxyethoxy)ethyl 4-hydroxy-4-[3,4-(methylenedioxy)phenyl]-2butynoate
SMILES:
COCCOCCOC(=O)C#CC(O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C16H18O7
Molecular weight
322.31
Exact mass
322.1053
XLogP
0.66
TPSA
83.45
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
78.95
Supplementary Information
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