UCSF

ZINC00164379

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 No

Popular Name: 2,5-Dimethyl-3(2H)-furanone 2,5-Dimethyl-3(2H)-furanone

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CAS Numbers: 14400-67-0 , 14400-67-0 (35298-48-7) , [14400-67-0]

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) 0.88 2.71 -6.53 0 2 0 26 112.128 0 ↓
Ref Reference (pH 7) 0.88 2.71 -6.54 0 2 0 26 112.128 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 259-261? Alfa-Aesar
Boiling_Point 259-261° Alfa-Aesar
BP 72 / 13 TCI
Purity 97% Fluorochem
PUBCHEM_PATENT_ID US4889735 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.