UCSF

ZINC00522146

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Popular Name: 6-METHYL-4-PHENYLCHROMAN-2-ONE 6-METHYL-4-PHENYLCHROMAN-2-ONE

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CAS Numbers: 40546-94-9 , 51737-00-9 , [40546-94-9]

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) 3.35 10 -6.33 0 2 0 26 238.286 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 166-170°/2.5mm Oakwood Chemical
BP 230 / 16 TCI
MP 80-81° Oakwood Chemical
MP 82 TCI
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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