UCSF

ZINC21304114

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 9 No

Popular Name: 1-cyclopropylbutane-1,3-dione 1-cyclopropylbutane-1,3-dione

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CAS Numbers: 21573-10-4 , [21573-10-4]

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) 0.17 5.84 -14.05 0 2 0 34 126.155 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 68-70°/12 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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