UCSF

ZINC00058266

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 9-Hydroxyxanthene 9-Hydroxyxanthene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 90-46-0 , [90-24-4] , [90-46-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 -1.16 -8.53 1 2 0 29 198.221 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 122-124 °C Indofine
Melting_Point 122-126? Alfa-Aesar
Melting_Point 122-126° Alfa-Aesar
Mp [°C] 124 - 127 Acros Organics
MP 127 - 128 Enamine Building Blocks
MP 127...128 Enamine Building Blocks
MP 127.8o C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
SOLUBILITY methanol: 0.1 g/mL, clear Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
SOLUBILITY Soluble in Methanol Indofine
PUBCHEM_PATENT_ID WO2000076526A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )