UCSF

ZINC02039266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 7 Yes

Popular Name: DL-3-Methylcyclopentanone DL-3-Methylcyclopentanone

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CAS Numbers: 1757-42-2 , 6672-30-6

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) 0.90 3.89 -4.2 0 1 0 17 98.145 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 58? Alfa-Aesar
Melting_Point 58° Alfa-Aesar
Boiling_Point 144-146? Alfa-Aesar
Boiling_Point 144-146° Alfa-Aesar
BP [°C] 145 Acros Organics
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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