Secondary metabolite: 2,3,4,5-Tetramethoxybenzoyl chloride Summary Molecular formula: C11H13ClO5
SMILES: COc1c(OC)cc(c(c1OC)OC)C(=O)Cl InChI: InChI=1S/C11H13ClO5/c1-14-7-5-6(11(12)13)8(15-2)10(17-4)9(7)16-3/h5H,1-4H3 InChIKey: IVMDBXGELGZZFZ-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Benzenoids Class: Benzene and substituted derivatives
Sub class: Benzoic acids and derivatives
Synonymous chemical names: 2,3,4,5-tetramethoxybenzoyl chloride
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 260.67 Log P RDKit 2.1 Topological polar surface area (Å2 ) RDKit 53.99 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 11 Number of heavy atoms RDKit 17 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 0 Stereochemical complexity RDKit 0 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 4 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.36 Shape complexity RDKit 0.36 Number of rotatable bonds SwissADME 5 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 1 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 1 Total number of rings RDKit 1 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
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