Cas no 47307-06-2 (Benzoic acid,3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-)

Benzoic acid,3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]- structure
47307-06-2 structure
Product Name:Benzoic acid,3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-
CAS No:47307-06-2
MF:C14H10O9
MW:322.223804950714
CID:331606
PubChem ID:73289
Update Time:2025-04-19

Benzoic acid,3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-
    • 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
    • 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid
    • NS00031676
    • EINECS 256-307-7
    • 3,5-Dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)benzoic acid
    • Benzoic acid, 3,5-dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)-
    • 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoic acid
    • DTXSID70197097
    • SCHEMBL2050244
    • 47307-06-2
    • Inchi: 1S/C14H10O9/c15-7-3-6(4-8(16)11(7)19)14(22)23-12-9(17)1-5(13(20)21)2-10(12)18/h1-4,15-19H,(H,20,21)
    • InChI Key: OVPHIYQDYJLKEW-UHFFFAOYSA-N
    • SMILES: O(C(C1C=C(C(=C(C=1)O)O)O)=O)C1C(=CC(C(=O)O)=CC=1O)O

Computed Properties

  • Exact Mass: 322.032482
  • Monoisotopic Mass: 322.032482
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 430
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 165
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.815
  • Boiling Point: 689.4°Cat760mmHg
  • Flash Point: 263.7°C
  • Refractive Index: 1.776
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