UCSF

ZINC00406938

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 3-Methoxybenzonitrile 3-Methoxybenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1527-89-5 , [1527-89-5]

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) 1.73 4.18 -6.01 0 2 0 33 133.15 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 110-111?/12mm Alfa-Aesar
Boiling_Point 110-111°/12mm Alfa-Aesar
BP 111-112°/13mm Oakwood Chemical
BP 140 / 34 TCI
M.P 20-22°C Indofine
Melting_Point 22-24? Alfa-Aesar
Melting_Point 22-24° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 99% Fluorochem

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