1-(4,5-Dimethoxy-2-nitrophenyl)ethanone

C₁₀H₁₁NO₅CAS 4101-32-0225.20 g/mol

Open in Covalent MOL file

Ketone Nitro Tertiary Amine

Properties

Molecular formula: C₁₀H₁₁NO₅
Molar mass: 225.20 g/mol
Exact mass: 225.0637 Da
Melting point: 133.5–135 °C
logP: 1.81Crippen estimate
Polar surface area: 78.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Identifiers

CAS number

4101-32-0

SMILES

COc1cc(C(C)=O)c([N+](=O)[O-])cc1OC

InChIKey

ZVLFGESHYMKNQP-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-5H,1-3H3

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Names and synonyms

4 names

Ethanone, 1-(4,5-dimethoxy-2-nitrophenyl)-
Acetophenone, 4′,5′-dimethoxy-2′-nitro-
4′,5′-Dimethoxy-2′-nitroacetophenone
1-(4,5-Dimethoxy-2-nitrophenyl)ethan-1-one

Work with 1-(4,5-Dimethoxy-2-nitrophenyl)ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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