Cas no 19077-85-1 (1-Benzopyrylium,3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-, chloride (9CI))

1-Benzopyrylium,3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-, chloride (9CI) structure
19077-85-1 structure
Product Name:1-Benzopyrylium,3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-, chloride (9CI)
CAS No:19077-85-1
MF:C18H17O7
MW:345.323385953903
CID:187875
PubChem ID:441658
Update Time:2025-04-19

1-Benzopyrylium,3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-, chloride (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Benzopyrylium,3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-, chloride (9CI)
    • CAPENSINIDIN CHLORIDE(NEW)(SH)
    • CAPENSINIDIN CHLORIDE(SH)
    • 2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromenylium-3,7-diol
    • 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-5-methoxy-chromenylium,chloride
    • Capensinidin
    • Capensinidin chloride
    • 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-1-benzopyran-1-ium
    • DTXSID00331604
    • C08595
    • AC1L9BFD
    • CHEBI:3367
    • 2-(4-hydroxy-3,5-dimethoxy-phenyl)-5-methoxy-chromenylium-3,7-diol
    • SCHEMBL131502
    • 19077-85-1
    • Q4899233
    • Inchi： 1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1
    • InChI Key： GYLVPQXQQPMCKK-UHFFFAOYSA-O
    • SMILES： [O+]1C2C=C(C=C(C=2C=C(C=1C1C=C(C(=C(C=1)OC)O)OC)O)OC)O

Computed Properties

  • Exact Mass: 345.09700
  • Monoisotopic Mass: 345.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 420
  • 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: 89.4A^2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 109.36000
  • LogP: 2.71110

1-Benzopyrylium,3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-, chloride (9CI) Customs Data

  • HS CODE：2909499000
  • Customs Data：

    China Customs Code:

    2909499000

    Overview:

    2909499000 Other ether alcohols and their halogenation\sulfonation\Nitrosative or nitrosative derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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