UCSF

ZINC01793726

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 No

Popular Name: 3-Methoxy-4-propoxybenzaldehyde 3-Methoxy-4-propoxybenzaldehyde

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CAS Numbers: 350997-70-5 , 57695-98-4 , 57695-98-4; 350997-70-5 , [57695-98-4]

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) 2.25 2.06 -8.6 0 3 0 35 194.23 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 139-140° Matrix Scientific
MP 59-60° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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