UCSF

ZINC01615703

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

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

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CAS Numbers: 13331-19-6 , [13331-19-6]

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) 3.12 -1.95 -4.71 2 2 0 40 152.193 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 101-105? Alfa-Aesar
Melting_Point 101-105° Alfa-Aesar
Boiling_Point 280? Alfa-Aesar
Boiling_Point 280° Alfa-Aesar
Purity 97% Fluorochem
PUBCHEM_PATENT_ID US4507498; US4782176 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )