1-(3-Nitrophenyl)-1-propanone

C₉H₉NO₃CAS 17408-16-1179.17 g/mol

Open in Covalent MOL file

Ketone Nitro Tertiary Amine

Properties

Molecular formula: C₉H₉NO₃
Molar mass: 179.17 g/mol
Exact mass: 179.0582 Da
Melting point: 100–101 °C
logP: 2.19Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

17408-16-1

SMILES

CCC(=O)c1cccc([N+](=O)[O-])c1

InChIKey

VSPOTMOYDHRALZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

1-Propanone, 1-(3-nitrophenyl)-
3′-Nitropropiophenone
m-Nitropropiophenone
NSC 142328
Propiophenone, 3′-nitro-

Work with 1-(3-Nitrophenyl)-1-propanone

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

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0 2-Methoxy-β-nitrostyrene3316-24-3 5-Acetyl-2-hydroxybenzamide40187-51-7 Hippuric acid495-69-2

Elsewhere

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