UCSF

ZINC00160575

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: 3-Benzyloxy-4-methoxybenzaldehyde 3-Benzyloxy-4-methoxybenzaldehyde

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CAS Numbers: 6346-05-0 , [6346-05-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.97 7.42 -9.9 0 3 0 36 242.274 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 120 / 5 TCI
Mp [°C] 60 - 64 Acros Organics
Melting_Point 60-64? Alfa-Aesar
Melting_Point 60-64° Alfa-Aesar
MP 61 - 64 Enamine Building Blocks
M.P 61-64 °C Indofine
MP 61...64 Enamine Building Blocks
MP 63 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.