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Home> Hot Product Listed A   > AKOS009003932
489-53-2 structure

AKOS009003932

Iupac Name:8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one
CAS No.:489-53-2
Molecular Weight:260.289
Molecular Formula:C13H14N4O (isomer)
Names and Identifiers
Synonyms

2-(octahydro-1h-isoquinoline-2-carbonyl)benzoic acid benzoic acid,2-[(octahydro-2(1h)-isoquinolinyl)car benzoic acid,2-[(octahydro-2(1h)-isoquinolinyl)carbonyl]- SC-57473

Inchi
InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3
InChkey
LSZONYLDFHGRDP-UHFFFAOYSA-N
Canonical Smiles
CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C
Computational chemical data
  • Molecular Weight:260.289g/mol
  • Molecular Formula:C13H14N4O
  • Compound Is Canonicalized:True
  • Exact Mass:260.105
  • Monoisotopic Mass:260.105
  • Complexity:401
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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