UCSF

ZINC00151777

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

Popular Name: 2-(Benzyloxy)benzaldehyde 2-(Benzyloxy)benzaldehyde

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CAS Numbers: 5896-17-3 , [5896-17-3]

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) 3.33 1.88 -7.09 0 2 0 26 212.248 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 208 (p=19 torr) Acros Organics
BP 208 / 19 TCI
Melting_Point 46-47? Alfa-Aesar
MP 46-47o C Indofine
Melting_Point 46-47° Alfa-Aesar
MP 46-47°C Indofine
MP 88 - 89 Enamine Building Blocks
MP 88...89 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
SOLUBILITY Soluble in Chloroform Indofine

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