UCSF

ZINC02569877

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 Yes

Popular Name: 2-Propylpropane-1,3-diol 2-Propylpropane-1,3-diol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2612-28-4 , [2612-28-4]

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) 0.86 -0.41 -4.85 2 2 0 40 118.176 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5763690 IBM Patent Data

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