名称: 4'-chloro-3,4-(methylenedioxy)benzoin
SMILES:
O=C(c1ccc2c(c1)OCO2)C(O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C15H11ClO4
Molecular weight
290.7
Exact mass
290.0346
XLogP
2.99
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
73.31
Supplementary Information
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