UCSF

ZINC12462557

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 12 Yes

Popular Name: 6-methylchroman-4-one 6-methylchroman-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39513-75-2 , [39513-75-2]

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) 2.03 4.9 -6.92 0 2 0 26 162.188 0 ↓

Vendor Notes

Note Type Comments Provided By
M.P. 34-36 C Indofine
MP 34-36o C Indofine
Warnings IRRITANT Matrix Scientific
APPEARANCE Low melting solid Indofine
SOLUBILITY Soluble in Chloroform, Acetone Indofine

Activity (Go SEA)

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