UCSF

ZINC01383784

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 19 Yes

Popular Name: 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboxylic acid 2-(1-oxo-1,3-dihydro-2H-isoindol…

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CAS Numbers: 4770-69-8 , [4770-69-8]

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) 2.70 1.37 -65.38 0 4 -1 60 252.249 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 240 - 243 KeyOrganics
MP 240-243° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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