chempirical

Pelargonidin

C15H11ClO5CAS 134-04-3306.70 g/mol

Open in Covalent MOL file
HClO−OHOHO+HO
Phenol

Properties

Molecular formula
C15H11ClO5
Molar mass
306.70 g/mol
Exact mass
306.0295 Da
Melting point
above 350 °C
logP
2.99Crippen estimate
Polar surface area
95.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
134-04-3
SMILES
Cl.[O-]c1cc2c(O)cc(O)cc2[o+]c1-c1ccc(O)cc1
InChIKey
YPVZJXMTXCOTJN-UHFFFAOYSA-N
InChI
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

Weigh it out

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Names and synonyms

6 names
  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride (1:1)
  • Flavylium, 3,4′,5,7-tetrahydroxy-, chloride
  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
  • 3,4′,5,7-Tetrahydroxyflavylium chloride
  • Pelargonidin chloride
  • Pelargonidol chloride

Work with Pelargonidin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyanidin chloride528-58-581 % similar Delphinidin chloride528-53-060 % similar Malvidin643-84-552 % similar Ideain27661-36-547 % similar Chrysanthemin7084-24-447 % similar Pelargonidin 3-glucoside18466-51-845 % similar Oenin7228-78-638 % similar 4-Aminobenzene-1,3-diol hydrochloride34781-86-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Luteolinidin1154-78-5

Elsewhere

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