UCSF

ZINC40564521

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 21 No

Popular Name: Methyl 3-(benzyloxy)-4-nitrobenzoate Methyl 3-(benzyloxy)-4-nitrobenz…

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CAS Numbers: 209528-69-8 , [209528-69-8]

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) 3.65 9.89 -10.22 0 6 0 81 287.271 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 92-94° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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