UCSF

ZINC00342519

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 4-methoxy-2,3,6-trimethylbenzaldehyde 4-methoxy-2,3,6-trimethylbenzald…

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CAS Numbers: 54344-92-2 , [54344-92-2]

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) 2.91 2.55 -6.83 0 2 0 26 178.231 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 63 - 64 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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