UCSF

ZINC01596374

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: 4'-Methyl-3'-nitroacetophenone 4'-Methyl-3'-nitroacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5333-27-7 , [5333-27-7]

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) 2.17 2.29 -14.68 0 4 0 63 179.175 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 58-62? Alfa-Aesar
Melting_Point 58-62° Alfa-Aesar
MP 59 - 62 Enamine Building Blocks
MP 59...62 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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