UCSF

ZINC01641302

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

Popular Name: 3-Methyl-3-hexanol 3-Methyl-3-hexanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 597-96-6 , [597-96-6]

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) 2.43 -0.29 -1.65 1 1 0 20 116.204 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 143? Alfa-Aesar
Boiling_Point 143° Alfa-Aesar
PUBCHEM_PATENT_ID US4211696 IBM Patent Data

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