UCSF

ZINC00166097

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: mesitylacetic acid mesitylacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4408-60-0 , 52629-46-6 , [52629-46-6]

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) 2.56 1.97 -48.48 0 2 -1 40 177.223 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 167-170? Alfa-Aesar
Melting_Point 167-170° Alfa-Aesar
MP 167-171° Oakwood Chemical
MP 170 TCI
MP 170 - 172 Enamine Building Blocks
MP 170...172 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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