ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate | SBID = 225 | Compound | Custom Molecule

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C19H18O7
M / g/mol: 358.35
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate
  • Preferred Abbreviation: hethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate
  • IUPAC Name: ethyl 5-(6-ethyl-4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate
  • CAS:
  • CID: -15
  • InChiKey: PRJMXDUROWQFSX-UHFFFAOYSA-N
  • InChi: InChI=1S/C19H18O7/c1-4-10-8-11-15(9-14(10)23-3)26-19(22)16(17(11)20)12-6-7-13(25-12)18(21)24-5-2/h6-9,20H,4-5H2,1-3H3
  • CanoSmiles: COC1=C(CC)C=C2C(OC(C(C3=CC=C(C(OCC)=O)O3)=C2O)=O)=C1
  • IsoSmiles: O=C(C1=CC=C(C(C2=O)=C(O)C3=C(O2)C=C(OC)C(CC)=C3)O1)OCC