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Home> Hot Product Listed Z   > ZINC25295523
84-99-1 structure

ZINC25295523

Iupac Name:5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
CAS No.:84-99-1
Molecular Weight:258.273
Molecular Formula:C14H15BRN2O3 (isomer)
Names and Identifiers
Synonyms

3-[4-(3,3-dimethylbutanoyl)piperazine-1-carbonyl]-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one MCULE-2720851672 MOLPORT-009-180-333 T6771496 Z343461598

Inchi
InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
InChkey
JSJIIHRNDMLJGK-UHFFFAOYSA-N
Canonical Smiles
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C
Properties
Refractive Index
1.57
Computational chemical data
  • Molecular Weight:258.273g/mol
  • Molecular Formula:C14H15BRN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:258.089
  • Monoisotopic Mass:258.089
  • Complexity:437
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:44.8A^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
  • CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAGgAAAAAADESAmAIyDoAABACI AiDSCAACCAAgIAAIiAAGCMgMJyKEMBqCOiClwBUIqYeA4GwOIAACCAAIAABAAAQQABAAAAAAAAAA AA==
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