UCSF

ZINC00157455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: Piperonyl alcohol Piperonyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 495-76-1 , [495-76-1]

Download: MOL2 SDF SMILES Flexibase

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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) 1.17 0.48 -7.43 1 3 0 39 152.149 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 112-114° Fluorochem
Boiling_Point 156-158?/16mm Alfa-Aesar
Boiling_Point 156-158°/16mm Alfa-Aesar
BP 157 / 16 TCI
Melting_Point 50-55? Alfa-Aesar
Melting_Point 50-55° Alfa-Aesar
Mp [°C] 51 - 55 Acros Organics
MP 53 - 55 Enamine Building Blocks
MP 53...55 Enamine Building Blocks
MP 54 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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