UCSF

ZINC04262594

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 8 No

Popular Name: 3-METHYL-2,4-PENTANEDIONE 3-METHYL-2,4-PENTANEDIONE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 186047-23-4 , 767581-86-2 , 815-57-6

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) 0.15 4.84 -13.35 0 2 0 34 114.144 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 170-171? Alfa-Aesar
Boiling_Point 170-171° Alfa-Aesar
BP 172 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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