UCSF

ZINC34785090

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 15 No

Popular Name: methyl 2-(4-hydroxy-3-nitrophenyl)acetate methyl 2-(4-hydroxy-3-nitropheny…

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CAS Numbers: 61873-93-6 , [61873-93-6]

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) 1.65 4.69 -13.15 1 6 0 92 211.173 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 65 - 67 KeyOrganics
MP 65-67° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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