Name: 5,7-dihydroxy-3-(2-hydroxyethyl)-4-methyl-2H-1-benzopyran-2-one
SMILES:
Cc1c(CCO)c(=O)oc2cc(O)cc(O)c12Molecular Processing
Molecular formula
C12H12O5
Molecular weight
236.22
Exact mass
236.0685
XLogP
1.05
TPSA
90.9
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.34
Supplementary Information
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