UCSF

ZINC33823524

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 12 Yes

Popular Name: 1-(3-Methoxyphenyl)propan-1-ol 1-(3-Methoxyphenyl)propan-1-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52956-27-1 , [52956-27-1]

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) 2.04 2.78 -5.01 1 2 0 29 166.22 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0068250A1; US4590291 IBM Patent Data

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