Cas no 17636-16-7 (Barbatic Acid)

Barbatic Acid structure
Barbatic Acid structure
Product Name:Barbatic Acid
CAS No:17636-16-7
MF:C19H20O7
MW:360.357906341553
CID:1368820
PubChem ID:167666
Update Time:2025-04-20

Barbatic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoic acid
    • 2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy-3,6-dimethylbenzoic acid
    • SMR000386935
    • HMS2270A11
    • 17636-16-7
    • CHEBI:144123
    • NSC703214
    • AKOS030496239
    • Barbatinsaure
    • DTXSID40170115
    • NSC-703214
    • CHEMBL1902081
    • NCGC00247584-01
    • MLS000563514
    • SCHEMBL18622144
    • Barbatinic acid
    • Barbatic acid
    • MLS001049103
    • Benzoic acid, 2-hydroxy-4-((2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy)-3,6-dimethyl-
    • 2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethyl-benzoyl)oxy-3,6-dimethyl-benzoic acid
    • MLSMR
    • 2-hydroxy-4-{[(2-hydroxy-4-methoxy-3,6-dimethylphenyl)carbonyl]oxy}-3,6-dimethylbenzoic acid
    • STL564992
    • DA-71292
    • Barbatic Acid
    • Inchi: 1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23)
    • InChI Key: NMKBRSYSHBPUPY-UHFFFAOYSA-N
    • SMILES: O(C(C1C(=C(C)C(=CC=1C)OC)O)=O)C1C=C(C)C(C(=O)O)=C(C=1C)O

Computed Properties

  • Exact Mass: 360.1209
  • Monoisotopic Mass: 360.12090297g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 522
  • 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
  • XLogP3: 4.7
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • Density: 1.328
  • Boiling Point: 574.5°C at 760 mmHg
  • Flash Point: 205.3°C
  • Refractive Index: 1.613
  • PSA: 113.29

Barbatic Acid Pricemore >>

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