UCSF

ZINC00393770

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 12 Yes

Popular Name: (3-methylphenoxy)acetic acid (3-methylphenoxy)acetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1643-15-8 , 1878-49-5 , [1643-15-8]

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) 1.67 5.09 -47.78 0 3 -1 49 165.168 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 102-105? Alfa-Aesar
Melting_Point 102-105° Alfa-Aesar
MP 114 - 116 Enamine Building Blocks
MP 114...116 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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