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3,3'-Methylenebis(6-hydroxy-5-methylbenzaldehyde) structure

3,3'-Methylenebis(6-hydroxy-5-methylbenzaldehyde)

 
1. Names and Identifiers
1.1 Name
3,3'-Methylenebis(6-hydroxy-5-methylbenzaldehyde)
1.2 Synonyms
4,4'-methylene bis(2-methyl-6-formylphenol); 5,5'-Methylenebis(2-hydroxy-3-methylbenzaldehyde); Benzaldehyde, 3,3'-methylenebis[6-hydroxy-5-methyl-; CTK0I7212; DTXSID10731691;
1.3 CAS No.
247172-40-3
1.4 CID
59381272
1.5 Molecular Formula
C17H16O4
1.6 Inchi
InChI=1S/C17H16O4/c1-10-3-12(6-14(8-18)16(10)20)5-13-4-11(2)17(21)15(7-13)9-19/h3-4,6-9,20-21H,5H2,1-2H3
1.7 InChkey
NPPZYRRJNAXWID-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=CC(=C1O)C=O)CC2=CC(=C(C(=C2)C)O)C=O
1.9 Isomers Smiles
CC1=CC(=CC(=C1O)C=O)CC2=CC(=C(C(=C2)C)O)C=O
2. Synthesis Route
247172-40-3Total: 3 Synthesis Route
   
 
110-88-3
110-88-3 32 Suppliers
 
824-42-0
824-42-0 46 Suppliers
 
3. Precursor and Product
4. Computed Properties
  • Molecular Weight:284.31g/mol
  • Molecular Formula:C17H16O4
  • Compound Is Canonicalized:True
  • Exact Mass:3.9
  • XLogP3-AA:284.10485899
  • Monoisotopic Mass:284.10485899
  • Complexity:336
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6
  • Heavy Atom Count::21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASgmAIyBoAAAgCIAihSgAACAAAkIAAAiAEECMgIJjaCFRKAcUAk4BEImYeIyOCOIAACAAAIAABAAAQAABAAAAAAAAAAAA==
5. Realated Product Infomation
 
 
 
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