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Home> Hot Product Listed S   > STOCK5S-18558
354815-90-0 structure

STOCK5S-18558

Iupac Name:3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CAS No.:354815-90-0
Molecular Weight:215.252
Molecular Formula:C29H32N2OS (isomer)
Names and Identifiers
Synonyms

(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl 2,2-dimethylpropanoate (6-methyl-2-oxo-1h-quinolin-3-yl)methyl 2,2-dimethylpropanoate AC1LRM5J AKOS003657406 AKOS005494950 MCULE-5024648290 MOLPORT-000-772-275 MOLPORT-002-634-078 STK569666 ZINC9345034

Inchi
InChI=1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16)
InChkey
WRJCENKZISEXPF-UHFFFAOYSA-N
Canonical Smiles
C1C=CC2C1C(NC3=CC=CC=C23)C(=O)O
Properties
Refractive Index
1.606
Computational chemical data
  • Molecular Weight:215.252g/mol
  • Molecular Formula:C29H32N2OS
  • Compound Is Canonicalized:True
  • Exact Mass:215.095
  • Monoisotopic Mass:215.095
  • Complexity:326
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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