UCSF

ZINC00403470

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: Methyl 3-methoxy-4-methylbenzoate Methyl 3-methoxy-4-methylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3556-83-0 , [3556-83-0]

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) 2.54 2.76 -6.6 0 3 0 36 180.203 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 119-120?/1mm Alfa-Aesar
Boiling_Point 119-120°/1mm Alfa-Aesar
melting_point 42 - 46 KeyOrganics
MP 42-46° Matrix Scientific
Melting_Point 47-50? Alfa-Aesar
Melting_Point 47-50° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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