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Substance Name: Pelargonidin
RN: 134-04-3
UNII: DFL6200791
InChIKey: YPVZJXMTXCOTJN-UHFFFAOYSA-N

Molecular Formula

  • C15-H11-O5.Cl

Molecular Weight

  • 306.7
 
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Names and Synonyms

Name of Substance

  • Pelargonidin

Synonyms

  • EINECS 205-127-7
  • Pelargonidin
  • UNII-DFL6200791

Systematic Names

  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
  • 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride

Registry Numbers

CAS Registry Number

  • 134-04-3

FDA UNII

  • DFL6200791

Related Registry Number

  • 7690-51-9 (Parent)

System Generated Number

  • 0000134043

Molecular Formulas

Molecular Formula

  • C15-H11-O5.Cl

Molecular Formula Fragments

  • C15-H11-O5
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H

InChIKey

YPVZJXMTXCOTJN-UHFFFAOYSA-N

Smiles

[o+]1c2c(cc(c1c1ccc(cc1)O)O)c(O)cc(c2)O.[ClH-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >350 deg C   EXP
log P (octanol-water) 2.680 (none)   EST
Atmospheric OH Rate Constant 2.87E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.