UCSF

ZINC00031310

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 14 No

Popular Name: 3,5-Dimethyl-4-nitrobenzoic acid 3,5-Dimethyl-4-nitrobenzoic acid

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CAS Number: 3095-38-3

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) 2.56 2.05 -41.16 0 5 -1 85 194.166 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 222-226? Alfa-Aesar
Melting_Point 222-226° Alfa-Aesar

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