UCSF

ZINC02040366

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 Yes

Popular Name: 2-Methyl-3-hexanone 2-Methyl-3-hexanone

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CAS Numbers: 7379-12-6 , [7379-12-6]

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) 2.04 2.13 -4.33 0 1 0 17 114.188 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 136 TCI
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P303: IF ON SKIN (or hair); P403 + P233: Store in a well-ventilated place. Keep container tightly closed Acros Organics
R phrase R10: Flammable. Acros Organics

Activity (Go SEA)

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