Название: methyl 6-oxo-6-(2,3,4-trimethoxyphenyl)hexanoate
SMILES:
COC1=C(C(=C(C=C1)C(=O)CCCCC(=O)OC)OC)OCMolecular Processing
Molecular formula
C16H22O6
Molecular weight
310.35
Exact mass
310.1416
XLogP
2.63
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
80.91
Supplementary Information
InChIKey: HPKJDQLSNWRNKV-UHFFFAOYSA-N
Синонимы
SCHEMBL4131305HPKJDQLSNWRNKV-UHFFFAOYSA-N6-Oxo-6-(2,3,4-trimethoxy-phenyl)-hexanoic acid methyl ester
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