UCSF

ZINC01755959

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Substance Information

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

Popular Name: 3-isopropoxy-1-propanol 3-isopropoxy-1-propanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29387-84-6 , 110-48-5 , 29387-84-6

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) 0.67 -1.87 -4.26 1 2 0 29 118.176 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5116976; US5132387; US5213897; US5318851; US5338853; US5352719; US5397821 IBM Patent Data

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