UCSF

ZINC01386804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 16 No

Popular Name: 2-(4-methylphenoxy)benzenecarbaldehyde 2-(4-methylphenoxy)benzenecarbal…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19434-35-6 , [19434-35-6]

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) 3.88 3.2 -11.03 0 2 0 26 212.248 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 52 - 54 KeyOrganics
MP 52-54° Matrix Scientific
Melting_Point 55? Alfa-Aesar
Melting_Point 55° Alfa-Aesar
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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