1-pyrenebutyric acid sodium salt | SBID = 2049 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H15NaO2
M / g/mol: 310.32167
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 1-pyrenebutyric acid sodium salt
  • Preferred Abbreviation: 1-pyrenebutyric acid sodium salt
  • IUPAC Name:
  • CAS:
  • CID: -880
  • InChiKey: FUKSLCXVXNNQLX-UHFFFAOYSA-M
  • InChi: InChI=1S/C20H16O2.Na/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15;/h1,4-5,7-12H,2-3,6H2,(H,21,22);/q;+1/p-1
  • CanoSmiles: [Na]OC(=O)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1
  • IsoSmiles: O=C(CCCC1=CC=C(C=C2)C3=C1C=CC4=CC=CC2=C34)O[Na]