UCSF

ZINC01586770

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: BENZYL BUTYL ETHER BENZYL BUTYL ETHER

Find On: PubMed — Wikipedia — Google

CAS Number: 588-67-0

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) 3.33 1.05 -3.08 0 1 0 9 164.248 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 111-112?/23mm Alfa-Aesar
Boiling_Point 111-112°/23mm Alfa-Aesar
BP 220 TCI
PUBCHEM_PATENT_ID US4262156; US4291187; US4331559 IBM Patent Data

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