Name: benzyl 4,5-dihydroxy-2-pentenoate
SMILES:
O=C(C=CC(O)CO)OCc1ccccc1Molecular Processing
Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
0.64
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
58.47
Supplementary Information
Details werden geladen…
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