UCSF

ZINC02572321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 3-Methoxy-2-methylbenzoic acid 3-Methoxy-2-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 55289-06-0 , [55289-06-0]

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) 1.92 4.03 -51.06 0 3 -1 49 165.168 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 147-151° Oakwood Chemical
melting_point 149 - 151 KeyOrganics
melting_point 149-151 deg KeyOrganics
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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