UCSF

ZINC02586040

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 3-Methoxy-4-methylbenzonitrile 3-Methoxy-4-methylbenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3556-60-3 , [3556-60-3]

Other Names:

MFCD03428590

SS-4337

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) 2.13 4.93 -5.28 0 2 0 33 147.177 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 54 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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