UCSF

ZINC00156558

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 3-Benzyloxy-4-methoxybenzoic acid 3-Benzyloxy-4-methoxybenzoic acid

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CAS Number: 58452-00-9

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) 3.09 1.3 -51.4 0 4 -1 58 257.265 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 177-182? Alfa-Aesar
Melting_Point 177-182° Alfa-Aesar
M.P 180-182°C Indofine

Activity (Go SEA)

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