UCSF

ZINC02022916

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 15 Yes

Popular Name: (4-butoxyphenyl)acetic acid (4-butoxyphenyl)acetic acid

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CAS Numbers: 4547-57-3 , [4547-57-3]

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) 2.86 1.26 -46.4 0 3 -1 49 207.249 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 87-89? Alfa-Aesar
Melting_Point 87-89° Alfa-Aesar

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