UCSF

ZINC01386306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 Yes

Popular Name: 2,2-dimethyl-5-(2-indanyl)-1,3-dioxone-4,6-dione 2,2-dimethyl-5-(2-indanyl)-1,3-d…

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CAS Number: 141738-19-4

Other Names:

MFCD01845975

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) 2.56 2.39 -7.65 0 4 0 53 246.262 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 157 KeyOrganics
mp 157.4 - 159 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

No pre-computed analogs available. Try a structural similarity search.