UCSF

ZINC02039894

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 No

Popular Name: 3-Hepten-2-one 3-Hepten-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1119-44-4 , 215457-82-2

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) 2.05 4.97 -4.94 0 1 0 17 112.172 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 156 TCI
Boiling_Point 156? Alfa-Aesar
Boiling_Point 156° Alfa-Aesar

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

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