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Home> Encyclopedia > Hot Product Listed Y   > YLSWSSCRJOUHEH-UHFFFAOYSA-N
59615-75-7 structure

YLSWSSCRJOUHEH-UHFFFAOYSA-N

Iupac Name:7-methyl-5-oxo-2-phenyl-3H-indolizine-6-carbonitrile
CAS No.:59615-75-7
Molecular Weight:248.285
Molecular Formula:C16H12N2O (isomer)
Names and Identifiers
Synonyms

2-phenyl-3,5-dihydro-5-oxo-7-methylindolizine-6-carbonitrile 7-methyl-5-oxo-2-phenyl-3,5-dihydro-6-indolizinecarbonitrile 7-methyl-5-oxo-2-phenyl-3,5-dihydro-indolizine-6-carbonitrile 7-methyl-5-oxo-2-phenyl-3,5-dihydroindolizine-6-carbonitrile A2867/0120849 AK403098 AKOS005616855 MOLPORT-000-157-375 STK769288 STOCK3S-72417 ZINC4126902

Inchi
InChI=1S/C16H12N2O/c1-11-7-14-8-13(12-5-3-2-4-6-12)10-18(14)16(19)15(11)9-17/h2-8H,10H2,1H3
InChkey
YLSWSSCRJOUHEH-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=O)N2CC(=CC2=C1)C3=CC=CC=C3)C#N
Computational chemical data
  • Molecular Weight:248.285g/mol
  • Molecular Formula:C16H12N2O
  • Compound Is Canonicalized:True
  • Exact Mass:248.095
  • Monoisotopic Mass:248.095
  • Complexity:565
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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