UCSF

ZINC00086210

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 1-(3,4-diethoxyphenyl)ethanone 1-(3,4-diethoxyphenyl)ethanone

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CAS Numbers: 1137-71-9 , [1137-71-9]

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) 2.23 2.08 -9.81 0 3 0 35 208.257 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
PUBCHEM_PATENT_ID EP0191496A2; US4680054 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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