UCSF

ZINC14985763

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 16 No

Popular Name: 3-(Methoxycarbonyl)-4-nitrobenzoic Acid 3-(Methoxycarbonyl)-4-nitrobenzo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64152-09-6 , [64152-09-6]

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) 2.09 5.87 -40.74 0 7 -1 112 224.148 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0406958A2; EP0406958B1 IBM Patent Data

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