UCSF

ZINC00967600

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 11 No

Popular Name: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one 4,6,6-trimethylbicyclo[3.1.1]hep…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1196-01-6 , 18309-32-5

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) 2.44 5.79 -6.87 0 1 0 17 150.221 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 227 - 228 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US4157451 IBM Patent Data

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