UCSF

ZINC00080893

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: (2-METHYLPHENOXY)ACETIC ACID (2-METHYLPHENOXY)ACETIC ACID

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CAS Numbers: 1878-49-5 , [1878-49-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.64 5.13 -47.75 0 3 -1 49 165.168 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 152-156? Alfa-Aesar
Melting_Point 152-156° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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