UCSF

ZINC00394099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 Yes

Popular Name: 4-Toluenesulfonylacetic acid 4-Toluenesulfonylacetic acid

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CAS Numbers: 3937-96-0 , [3937-96-0]

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) 0.50 2.62 -53.38 0 4 -1 74 213.234 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 117-119? Alfa-Aesar
Melting_Point 117-119° Alfa-Aesar
MP 118 TCI
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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