chempirical

1-Hydroxy-4-nitroanthraquinone

C14H7NO5CAS 81-65-2269.21 g/mol

Open in Covalent MOL file
OOHON+OO−
KetoneNitroPhenol

Properties

Molecular formula
C14H7NO5
Molar mass
269.21 g/mol
Exact mass
269.0324 Da
logP
2.08Crippen estimate
Polar surface area
97.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

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
81-65-2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-]
InChIKey
XXUOKOYLVBHBCG-UHFFFAOYSA-N
InChI
InChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H

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Names and synonyms

1 names
  • 1-Hydroxy-4-nitroanthracene-9,10-dione

Work with 1-Hydroxy-4-nitroanthraquinone

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

1,5-Dihydroxy-4,8-dinitro-9,10-anthracenedione128-91-680 % similar 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione81-55-080 % similar 1,4-Dihydroxyanthraquinone81-64-165 % similar 1-Nitroanthraquinone82-34-864 % similar 1,5-Dinitro-9,10-anthracenedione82-35-961 % similar 1,8-Dinitro-9,10-anthracenedione129-39-555 % similar 1-Amino-4-hydroxyanthraquinone116-85-854 % similar 4-Nitro-1-naphthol605-62-953 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook