Name: (3S)-5-(2-chloro-2-propenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILES:
C=C(Cl)Cc1c(O)ccc2c1O[C@@H](CO)CO2Molecular Processing
Molecular formula
C12H13ClO4
Molecular weight
256.69
Exact mass
256.0502
XLogP
1.82
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.8
Supplementary Information
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