UCSF

ZINC01576883

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 2-Allylphenol 2-Allylphenol

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CAS Numbers: 1745-81-9 , [1745-81-9]

Download: MOL2 SDF SMILES Flexibase

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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) 2.70 3.68 -3.66 1 1 0 20 134.178 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 6? Alfa-Aesar
Melting_Point 6° Alfa-Aesar
BP 220 TCI
Boiling_Point 220-222? Alfa-Aesar
Boiling_Point 220-222° Alfa-Aesar
ALOGPS_SOLUBILITY 3.06e+00 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0670831A1; WO1995009159A1 IBM Patent Data

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