9-Hydroxyphenylfluoron | SBID = 167 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 107.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 248.4 | ||
| Sum Formula: | C19H12O6 | ||
| M / g/mol: | 336.299 | ||
| Complexity: | 675.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: dye
- Name: 9-Hydroxyphenylfluoron
- Preferred Abbreviation: 9-Hydroxyphenylfluoron
- IUPAC Name: 2,6,7-trihydroxy-9-(2-hydroxyphenyl)xanthen-3-one
- CAS: 3569-82-2
- CID: 72722
- InChiKey: GRWQEXZZWRVXDZ-UHFFFAOYSA-N
- InChi: InChI=1S/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H
- CanoSmiles: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)O
- IsoSmiles: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)O
