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Home> Hot Product Listed 2   > 2-Cyclopenten-1-one, 3-methyl-2-(2-methyl-1-propenyl)-
914221-42-4 structure

2-Cyclopenten-1-one, 3-methyl-2-(2-methyl-1-propenyl)-

Iupac Name:2-fluoro-2-phenylcyclopropane-1-carboxylic acid
CAS No.:914221-42-4
Molecular Weight:180.178
Molecular Formula:C5H6BRCLO (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H9FO2/c11-10(6-8(10)9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)
InChkey
ULOVTWLQHAOUKT-UHFFFAOYSA-N
Canonical Smiles
C1C(C1(C2=CC=CC=C2)F)C(=O)O
Computational chemical data
  • Molecular Weight:180.178g/mol
  • Molecular Formula:C5H6BRCLO
  • Compound Is Canonicalized:True
  • Exact Mass:180.059
  • Monoisotopic Mass:180.059
  • Complexity:223
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMQAAAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAGwAACAAADQCAmAAwCIAAAgCI AiDSCAACAAAgAAAIiAEAAIgIIDKAERCAYAAkgAAIiAeIyPCOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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