chempirical

Pyromellitic acid

C10H6O8CAS 89-05-4254.15 g/mol

Open in Covalent MOL file
OHOOOHOOHOHO
Carboxylic acid

Properties

Molecular formula
C10H6O8
Molar mass
254.15 g/mol
Exact mass
254.0063 Da
Density
1.79 g/mL (at 25 °C)
Melting point
276 °C
logP
0.48Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 240 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
89-05-4
SMILES
O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIKey
CYIDZMCFTVVTJO-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

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Names and synonyms

3 names
  • 1,2,4,5-Benzenetetracarboxylic acid
  • 1,2,4,5-Tetracarboxybenzene
  • NSC 6369

Reactions

Work with Pyromellitic acid

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

4,5-Dichlorophthalic acid56962-08-467 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-064 % similar 2,5-Dihydroxyterephthalic acid610-92-462 % similar Trimellitic acid528-44-961 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-260 % similar Phthalic acid88-99-360 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-359 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-159 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook