1-(4-Nitrophenyl)-1,2-propanedione

C₉H₇NO₄CAS 6159-25-7193.16 g/mol

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Properties

Molecular formula: C₉H₇NO₄
Molar mass: 193.16 g/mol
Exact mass: 193.0375 Da
logP: 1.37Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6159-25-7

SMILES

CC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChIKey

WCQBWJSIZYUMDJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3

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Names and synonyms

1 names

1-(4-Nitrophenyl)propane-1,2-dione

Work with 1-(4-Nitrophenyl)-1,2-propanedione

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

Similar compounds

P-Nitroacetophenone100-19-662 % similar 4-Nitrobenzamide619-80-754 % similar 4-Nitrobenzoyl chloride122-04-353 % similar Bis(4-nitrophenyl)peroxyanhydride1712-84-153 % similar 4-Nitrobenzoic acid62-23-753 % similar Methyl 4-nitrobenzoate619-50-153 % similar 4-Acetyl-4'-nitrodiphenyl ether75919-92-553 % similar 1,4-Dinitrobenzene100-25-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-3 3-(3-Nitrophenyl)-2-propenoic acid555-68-0 3-(2-Nitrophenyl)-2-propenoic acid612-41-9 4-Nitrocinnamic acid619-89-6 6-Nitrochroman-4-one68043-53-8 trans-4-Nitrocinnamic acid882-06-4

Elsewhere

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