UCSF

ZINC02037591

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 7 Yes

Popular Name: 1-Hexen-3-ol 1-Hexen-3-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4798-44-1 , [4798-44-1]

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) 1.75 1.95 -1.67 1 1 0 20 100.161 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 132-134? Alfa-Aesar
Boiling_Point 132-134° Alfa-Aesar
BP 134 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0789512A1; EP0789512B1 IBM Patent Data

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