UCSF

ZINC04071922

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 13 Yes

Popular Name: 1-(4-Methoxyphenyl)-2-butanol 1-(4-Methoxyphenyl)-2-butanol

Find On: PubMed — Wikipedia — Google

CAS Number: 110661-90-0

Other Names:

MFCD06654224

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) 2.41 -0.65 -5.26 1 2 0 29 180.247 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID US4092988; US4177339 IBM Patent Data

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