UCSF

ZINC01700385

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 3-Phenoxypropionitrile 3-Phenoxypropionitrile

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CAS Number: 3055-86-5

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) 1.45 5.27 -6.94 0 2 0 33 147.177 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 120 / 2 TCI
MP 58 - 61 Enamine Building Blocks
MP 58...61 Enamine Building Blocks
MP 60 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% )