UCSF

ZINC01081321

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 16 No

Popular Name: (+)-Nootkatone, crystalline, 98+% (+)-Nootkatone, crystalline, 98+%

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CAS Number: 4674-50-4

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) 3.67 2.87 -5.49 0 1 0 17 218.34 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 125?/0.5mm Alfa-Aesar
Boiling_Point 125°/0.5mm Alfa-Aesar
Melting_Point 34-36? Alfa-Aesar
Melting_Point 34-36° Alfa-Aesar
PUBCHEM_PATENT_ID EP0044747A2; EP0044748A1; EP0046072A2; EP0048545A2; EP0146103A2; EP0198351A2; EP0206738A2; EP0206739A2; EP0225742A2; EP0292046A2; EP0292047A2; EP0292047B1; EP0292048A2; EP0357130A2; EP0357130B1; EP0369668A2; EP0746552A1; EP0761664A1; EP0801049A2; EP081098 IBM Patent Data

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