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Molecule
Fluorescein
CAS: 2321-07-5 · C20H12O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2321-07-5
- Molecular Formula
- C20H12O5
- Molecular Mass
- 332.31 g/mol
Identifiers
CAS Registry Number
2321-07-5
SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21
InChI Key
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
Names and Synonyms
- Fluorescein Common Name
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy- Synonym
- Fluorescein Synonym
- 3′,6′-Dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one Synonym
- Resorcinolphthalein Synonym
- 3′,6′-Fluorandiol Synonym
- 3,6-Dihydroxyspiro[xanthene-9,3′-phthalide] Synonym
- Fluorescein acid Synonym
- D and C Yellow No. 7 Synonym
- 3′,6′-Dihydroxyfluoran Synonym
- 9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone Synonym
- Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- Synonym
- C.I. 45350:1 Synonym
- Japan Yellow 201 Synonym
- Japan Yellow No. 201 Synonym
- Yellow fluorescein Synonym
- C.I. Solvent Yellow 94 Synonym
- Solvent Yellow 94 Synonym
- D&C Yellow No. 7 Synonym
- NSC 667256 Synonym
- D&C Yellow 7 Synonym
- Yellow No. 201 Synonym
- 3′,6′-Dihydroxyspiro[2-benzofuran-3,9′-xanthene]-1-one Synonym
- F 0095 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.31 g/mol | CAS Common Chemistry |
| 332.31100000000004 g/mol | RDKit | |
| 332.311 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluorescein | CAS Common Chemistry |
| Canonical SMILES | O=C1OC2(C3=CC=C(O)C=C3OC4=CC(O)=CC=C42)C=5C=CC=CC15 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=GNBHRKFJIUUOQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 315 °C (decomp) | CAS Common Chemistry |
| Name | Fluorescein | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 75.99000000000001 Ų | RDKit |
| 75.99 Ų | RDKit | |
| LogP | 3.6658000000000017 | RDKit |
| 3.6658 | RDKit | |
| Molar Refractivity | 88.02710000000002 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.05 | RDKit |
| Exact Mass | 332.06847348400004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 332.31 g/mol. Edit any field — others recompute live.
