名称: α-naphthylmethylmalonic acid diethyl ester
SMILES:
CCOC(=O)C(Cc1cccc2ccccc12)C(=O)OCCMolecular Processing
Molecular formula
C18H20O4
Molecular weight
300.35
Exact mass
300.1362
XLogP
3.12
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
84.41
Supplementary Information
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