UCSF

ZINC00403358

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 9 Yes

Popular Name: Cycloheptane-1,3-dione Cycloheptane-1,3-dione

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CAS Numbers: 1194-18-9 , [1194-18-9]

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) 0.34 3.7 -6 0 2 0 34 126.155 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 254 Acros Organics
Boiling_Point 254? Alfa-Aesar
BP 254° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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