Cas no 536-08-3 (Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-)

Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]- structure
536-08-3 structure
Product Name:Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-
CAS No:536-08-3
MF:C14H10O9
MW:322.223804950714
CID:368180
Update Time:2025-04-19

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

Names and Identifiers

    • Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-
    • 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
    • Digallic Acid
    • Digallic Acid DISCONTINUED. Please see D445080
    • 3-galloylgallic acid
    • 3-galloyloxy-4,5-dihydroxy-benzoic acid
    • Gallic acid 3-monogallate
    • Gallic acid,3-gallate
    • m-digallate
    • m-Digallic acid
    • m-Galloylgallic acid
    • Inchi： 1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
    • InChI Key： COVFEVWNJUOYRL-UHFFFAOYSA-N
    • SMILES： O(C(C1C=C(C(=C(C=1)O)O)O)=O)C1C=C(C(=O)O)C=C(C=1O)O

Computed Properties

  • Exact Mass: 322.03200
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 442
  • 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
  • Surface Charge: 0
  • Tautomer Count: 168
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.5467 (rough estimate)
  • Melting Point: 267-269°C
  • Boiling Point: 420.86°C (rough estimate)
  • Refractive Index: 1.7770 (estimate)
  • PSA: 164.75000
  • LogP: 1.13200

Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]- Customs Data

  • HS CODE：2918990090
  • Customs Data：

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]- Pricemore >>

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