chempirical

Fluorescein

C20H12O5CAS 2321-07-5332.31 g/mol

Open in Covalent MOL file
OOOHOHO
EsterEtherLactonePhenol

Properties

Molecular formula
C20H12O5
Molar mass
332.31 g/mol
Exact mass
332.0685 Da
Melting point
315 °C (decomposes)
logP
3.67Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Identifiers

CAS number
2321-07-5
SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21
InChIKey
GNBHRKFJIUUOQI-UHFFFAOYSA-N
InChI
InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-
  • 3′,6′-Dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • Resorcinolphthalein
  • 3′,6′-Fluorandiol
  • 3,6-Dihydroxyspiro[xanthene-9,3′-phthalide]
  • Fluorescein acid
  • D And C yellow no. 7
  • 3′,6′-Dihydroxyfluoran
  • 9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone
  • Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-
  • C.I. 45350:1
  • Japan yellow 201
  • Japan yellow no. 201
  • Yellow fluorescein
  • C.I. Solvent yellow 94
  • Solvent yellow 94
  • D&C Yellow no. 7
  • NSC 667256
  • D&C Yellow 7
  • Yellow no. 201
  • 3′,6′-Dihydroxyspiro[2-benzofuran-3,9′-xanthene]-1-one
  • F 0095

Work with Fluorescein

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

5-Aminofluorescein3326-34-971 % similar 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-371 % similar 3′,6′-Dichlorospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one630-88-668 % similar 6-Carboxyfluorescein3301-79-968 % similar 5-Fam76823-03-568 % similar Phenolphthalein77-09-864 % similar Sodium fluorescein518-47-864 % similar Fluorescein 5-isothiocyanate3326-32-763 % similar

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

Elsewhere

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