UCSF

ZINC12359958

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 15 Yes

Popular Name: Dimethyl bicyclo[2.2.1]-5-heptene-2,3-dicarboxylate Dimethyl bicyclo[2.2.1]-5-hepten…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5826-73-3 , [5826-73-3]

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) 2.03 3.21 -6.72 0 4 0 53 210.229 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 150-152?/20mm Alfa-Aesar
Boiling_Point 150-152°/20mm Alfa-Aesar
PUBCHEM_PATENT_ID US5168101 IBM Patent Data

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