chempirical

Pyrene 1,3,6,8-tetracarboxylic acid

C20H10O8CAS 861023-19-0378.29 g/mol

Open in Covalent MOL file
OHOOOHOHOOOH
Carboxylic acid

Properties

Molecular formula
C20H10O8
Molar mass
378.29 g/mol
Exact mass
378.0376 Da
logP
3.38Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
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
861023-19-0
SMILES
C1=CC2=C3C(=C(C=C2C(=O)O)C(=O)O)C=CC4=C(C=C(C1=C43)C(=O)O)C(=O)O
InChIKey
NFAVSWWZWNSEIB-UHFFFAOYSA-N
InChI
InChI=1S/C20H10O8/c21-17(22)11-5-13(19(25)26)9-3-4-10-14(20(27)28)6-12(18(23)24)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

Weigh it out

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Names and synonyms

1 names
  • Pyrene-1,3,6,8-tetracarboxylic acid

Work with Pyrene 1,3,6,8-tetracarboxylic 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

Pyromellitic acid89-05-464 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-258 % similar Phthalic acid88-99-352 % similar 1,4-Naphthalenedicarboxylic acid605-70-952 % similar 2,3-Naphthalenedicarboxylic acid2169-87-150 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-050 % similar 4,6-Dimethylisophthalic acid2790-09-250 % similar Trimellitic acid528-44-948 % similar

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

Elsewhere

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