2'-Hydroxy-5'-methyl-3'-nitroacetophenone

C₉H₉NO₄CAS 66108-30-3195.17 g/mol

Open in Covalent MOL file

Ketone Nitro Phenol

Properties

Molecular formula: C₉H₉NO₄
Molar mass: 195.17 g/mol
Exact mass: 195.0532 Da
logP: 1.81Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

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

66108-30-3

SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C

InChIKey

XSHQMMIEZHWNAK-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3

Weigh it out

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

Work with 2'-Hydroxy-5'-methyl-3'-nitroacetophenone

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

5'-Bromo-2'-hydroxy-3'-nitroacetophenone70978-54-069 % similar 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-569 % similar 2,6-Dinitro-p-cresol609-93-867 % similar 2′-Hydroxy-3′-nitroacetophenone28177-69-762 % similar 2,4-Dimethyl-6-nitrophenol14452-34-760 % similar 2-Bromo-4-methyl-6-nitrophenol20039-91-257 % similar 2-Amino-4-methyl-6-nitrophenol6265-07-257 % similar 1-(3-Amino-2-hydroxy-5-methylphenyl)ethan-1-one70977-71-855 % similar

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

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 3-(3-Nitrophenyl)propionic acid1664-57-9 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5

Elsewhere

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