UCSF

ZINC03894527

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 16 Yes

Popular Name: 1,2-Phenylenedioxydiacetic acid 1,2-Phenylenedioxydiacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5411-14-3 , [5411-14-3]

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) 0.10 4.65 -119.13 0 6 -2 99 224.168 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 177-179? Alfa-Aesar
Melting_Point 177-179° Alfa-Aesar
Melting_Point 177-181? Alfa-Aesar
PUBCHEM_PATENT_ID EP0398179A1; EP0398179B1; US5116855 IBM Patent Data

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