UCSF

ZINC00119444

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 13 Yes

Popular Name: 2-phenoxybutanoic acid 2-phenoxybutanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 13794-14-4 , [13794-14-4]

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) 2.11 1.31 -49.35 0 3 -1 49 179.195 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0036545A1; US4415494 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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