الاسم: 7-hydroxy-6-(4-hydroxy-3-methyl-but-2-enyl)-5-methoxy-4-methyl-3H-isobenzofuran-1-one
SMILES:
COc1c(C)c2c(c(O)c1CC=C(C)CO)C(=O)OC2Molecular Processing
Molecular formula
C15H18O5
Molecular weight
278.3
Exact mass
278.1154
XLogP
1.86
TPSA
75.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
73.06
Supplementary Information
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