UCSF

ZINC00001451

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 5-Methoxyresorcinol 5-Methoxyresorcinol

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CAS Number: 2174-64-3

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) 0.96 -1.92 -6.47 2 3 0 50 140.138 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 188-189?/12mm Alfa-Aesar
BP 213 / 16 TCI
MP 76-78o C Indofine
MP 78-80 °C(lit.) Indofine
Melting_Point 78-80? Alfa-Aesar

Activity (Go SEA)

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