UCSF

ZINC03860966

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 4-Chromanol 4-Chromanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120523-16-2 , 132561-36-5 , 1481-93-2

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) 1.27 1.95 -5.61 1 2 0 29 150.177 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 38-42? Alfa-Aesar
Melting_Point 38-42° Alfa-Aesar
MP 42 - 44 Enamine Building Blocks
MP 42...44 Enamine Building Blocks
MP 43 TCI
Boiling_Point 79-81?/5mm Alfa-Aesar
Boiling_Point 79-81°/5mm Alfa-Aesar
BP 80 / 5 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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