UCSF

ZINC04076297

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 14 Yes

Popular Name: 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-propan-1-one 1-(2,3-Dihydro-benzo[1,4]dioxin-…

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CAS Number: 20632-12-6

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) 1.85 4.93 -10.3 0 3 0 36 192.214 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 183 - 187 Enamine Building Blocks
MP 183...187 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1999051598A1 IBM Patent Data

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