COC1=C(C(=C(C=C1)C(=O)CCCC(=O)O)OC)OC
CAS: 16093-16-6
Название: 5-oxo-5-(2,3,4-trimethoxyphenyl)pentanoic acid
SMILES: COC1=C(C(=C(C=C1)C(=O)CCCC(=O)O)OC)OC

Molecular Processing

Molecular formula
C14H18O6
Molecular weight
282.29
Exact mass
282.1103
XLogP
2.15
TPSA
82.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
20
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
0.429
Molar refractivity
71.92

Supplementary Information

InChIKey: DAZAPSUEQMAVOL-UHFFFAOYSA-N
Синонимы
16093-16-65-(2,3,4-TRIMETHOXYPHENYL)-5-OXOVALERIC ACID5-oxo-5-(2,3,4-trimethoxyphenyl)pentanoic acidMFCD09801785Benzenepentanoic acid, 2,3,4-trimethoxy-delta-oxo-SCHEMBL4128743DTXSID60598251DAZAPSUEQMAVOL-UHFFFAOYSA-NAKOS009604736F2075105-Oxo-5-(2,3,4-trimethoxy-phenyl)-pentanoic acid5-(2,3,4-TRIMETHOXYPHENYL)-5-OXOVALERICACID
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