UCSF

ZINC01680783

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Popular Name: 2,2-Dimethyl-3-hexanone 2,2-Dimethyl-3-hexanone

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CAS Numbers: 5405-79-8 , [5405-79-8]

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) 2.62 2.55 -4.57 0 1 0 17 128.215 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98+% Matrix Scientific
PUBCHEM_PATENT_ID EP0297804A2; EP0297804B1; EP0488601B1; EP0509810A1; EP0597476B1; EP0601393A1; EP0611065A1; EP0943962A1; US4152163; US4581329; US4670377; US4863846; US5246828; US5405739; US5508159; US6100018; US6127570; USH874 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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