UCSF

ZINC05011055

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 13 Yes

Popular Name: 2,2-Dimethyl-chroman-4-one 2,2-Dimethyl-chroman-4-one

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CAS Number: 3780-33-4

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) 2.41 1.32 -6.27 0 2 0 26 176.215 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 87 - 89 Enamine Building Blocks
MP 87...89 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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