UCSF

ZINC02565994

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 4-Ethoxyphenylacetonitrile 4-Ethoxyphenylacetonitrile

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CAS Numbers: 6775-77-5 , [6775-77-5]

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) 2.33 2.79 -9.03 0 2 0 33 161.204 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 44-47° Matrix Scientific
MP 46 - 48 Enamine Building Blocks
MP 46...48 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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