chempirical

1,4-Benzenedicarboxaldehyd

C12H10O2CAS 2065232-74-6186.21 g/mol

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OO
AldehydeAlkene

Properties

Molecular formula
C12H10O2
Molar mass
186.21 g/mol
Exact mass
186.0681 Da
logP
2.60Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

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
2065232-74-6
SMILES
C=CC1=CC(=C(C=C1C=O)C=C)C=O
InChIKey
XPRYFYWFZXMGMV-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c1-3-9-5-12(8-14)10(4-2)6-11(9)7-13/h3-8H,1-2H2

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Names and synonyms

1 names
  • 2,5-Diethenyl-1,4-benzenedicarboxaldehyde

Work with 1,4-Benzenedicarboxaldehyd

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

4-Vinylbenzaldehyde1791-26-044 % similar 2,3-Naphthalenedicarboxaldehyde7149-49-744 % similar 2,4,5-Trimethylbenzaldehyde5779-72-642 % similar 2,5-Dihydroxy-1,4-benzenedicarboxaldehyde1951-36-640 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-440 % similar Phthalaldehyde643-79-839 % similar 2,4,5-Trifluorobenzaldehyde165047-24-537 % similar 2,4,5-Trihydroxybenzaldehyde35094-87-237 % similar

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

Same formula

Phenylhydroquinone1079-21-6 2-Naphthyl acetate1523-11-1 4-Methoxy-1-naphthaldehyde15971-29-6 2,2′-Biphenol1806-29-7 Methyl 2-naphthoate2459-25-8 6-Methoxy-2-naphthaldehyde3453-33-6 4-Methyl-1-naphthoic acid4488-40-8 2-Methoxy-1-naphthaldehyde5392-12-1

Elsewhere

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