UCSF

ZINC00039685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 13 Yes

Popular Name: (Phenylsulfonyl)acetic acid (Phenylsulfonyl)acetic acid

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CAS Numbers: 3959-23-7 , [3959-23-7]

Download: MOL2 SDF SMILES Flexibase

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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) 0.05 2.87 -52.26 0 4 -1 74 199.207 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 109-114? Alfa-Aesar
Melting_Point 109-114° Alfa-Aesar
MP 112-114° Fluorochem
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

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