UCSF

ZINC00000349

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: Guaiacol benzoate Guaiacol benzoate

Find On: PubMed — Wikipedia — Google

CAS Number: 531-37-3

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) 3.42 8.38 -10.92 0 3 0 36 228.247 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 57-61? Alfa-Aesar
Melting_Point 57-61° Alfa-Aesar
M.P 58-60°C Indofine

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Rings

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