chempirical

9,10-Anthracenedicarboxaldehyde

C16H10O2CAS 7044-91-9234.25 g/mol

Open in Covalent MOL file
OO
Aldehyde

Properties

Molecular formula
C16H10O2
Molar mass
234.25 g/mol
Exact mass
234.0681 Da
Melting point
244–245 °C
logP
3.62Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
7044-91-9
SMILES
O=Cc1c2ccccc2c(C=O)c2ccccc12
InChIKey
SBRUFOSORMQHES-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H

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Names and synonyms

4 names
  • 9,10-Anthracenedialdehyde
  • 9,10-Anthracenedicarbaldehyde
  • 9,10-Diformylanthracene
  • NSC 529667

Work with 9,10-Anthracenedicarboxaldehyde

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

Anthracene-9-carbaldehyde642-31-968 % similar 2-Hydroxy-1-naphthaldehyde708-06-552 % similar Phthalaldehyde643-79-850 % similar 2-Methylindole-3-carboxaldehyde5416-80-848 % similar 1-Naphthalenecarboxaldehyde66-77-348 % similar 2,6-Dihydroxybenzaldehyde387-46-248 % similar 2,6-Dichlorobenzaldehyde83-38-548 % similar Benzaldehyde100-52-748 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook