UCSF

ZINC12405184

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 9 No

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

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CAS Numbers: 1540-34-7 , [1540-34-7]

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) 0.65 5.42 -12.96 0 2 0 34 128.171 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 227 - 231 Enamine Building Blocks
MP 227...231 Enamine Building Blocks
BP 81 / 20.3 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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