C1=CC(=C(C=C1C(CC2=CC(=CC(=O)O2)O)O)O)O
Название: 6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-4-hydroxypyran-2-one
SMILES: C1=CC(=C(C=C1C(CC2=CC(=CC(=O)O2)O)O)O)O

Molecular Processing

Molecular formula
C13H12O6
Molecular weight
264.23
Exact mass
264.0634
XLogP
1.03
TPSA
111.13
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
65.08

Supplementary Information

InChIKey: CIGUXMKGGACFHV-UHFFFAOYSA-N
Синонимы
CIGUXMKGGACFHV-UHFFFAOYSA-N4-Hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-2H-pyran-2-one
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