UCSF

ZINC00359383

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 Yes

Popular Name: 3,5-dimethyl-1-benzofuran-2-carboxylic acid 3,5-dimethyl-1-benzofuran-2-carb…

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CAS Numbers: 16817-32-6 , [16817-32-6]

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) 2.88 1.57 -53.38 0 3 -1 53 189.19 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 180 - 182 Enamine Building Blocks
MP 180...182 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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