UCSF

ZINC18208228

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 7 No

Popular Name: 2-Methylcyclopent-2-enone 2-Methylcyclopent-2-enone

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CAS Number: 1120-73-6

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) 0.88 3.8 -7.13 0 1 0 17 96.129 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 104 - 106 Enamine Building Blocks
MP 104...106 Enamine Building Blocks
BP [°C] 158 - 161 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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% )