chempirical

1,8-Dinitro-9,10-anthracenedione

C14H6N2O6CAS 129-39-5298.21 g/mol

Open in Covalent MOL file
ON+OO−ON+OO−
KetoneNitro

Properties

Molecular formula
C14H6N2O6
Molar mass
298.21 g/mol
Exact mass
298.0226 Da
Melting point
310 °C
logP
2.28Crippen estimate
Polar surface area
120.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2

Identifiers

CAS number
129-39-5
SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c1cccc2[N+](=O)[O-]
InChIKey
MBIJFIUDKPXMAV-UHFFFAOYSA-N
InChI
InChI=1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H

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Names and synonyms

7 names
  • 9,10-Anthracenedione, 1,8-dinitro-
  • Anthraquinone, 1,8-dinitro-
  • Alizarine violet R base
  • 1,8-Dinitroanthraquinone
  • Waxoline violet BA
  • 1,8-Dinitro-9,10-anthraquinone
  • NSC 37108

Work with 1,8-Dinitro-9,10-anthracenedione

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-Nitroanthraquinone82-34-887 % similar Dimethyl 3-nitrophthalate13365-26-955 % similar 3-Nitrophthalimide603-62-355 % similar 1,5-Dihydroxy-4,8-dinitro-9,10-anthracenedione128-91-654 % similar 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione81-55-054 % similar 3-Nitro-1,2-benzenedicarboxamide96385-50-154 % similar 2-Nitrobenzoic acid552-16-951 % similar 2-Nitrobenzoyl chloride610-14-051 % similar

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

Same formula

1,5-Dinitro-9,10-anthracenedione82-35-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook