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Home> Hot Product Listed S   > Sarcotoxin I (9CI)
608119-82-0 structure

Sarcotoxin I (9CI)

Iupac Name:1-(2-methyl-4-phenylmethoxyphenyl)ethanone
CAS No.:608119-82-0
Molecular Weight:240.302
Molecular Formula:C15H12O2 (isomer)
Names and Identifiers
Synonyms

sarcotoxin I

Inchi
InChI=1S/C16H16O2/c1-12-10-15(8-9-16(12)13(2)17)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChkey
UGIGSWZYZVRDAK-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=O)C
Properties
Density
1.32
Boiling Point
°Cat760mmHg
Computational chemical data
  • Molecular Weight:240.302g/mol
  • Molecular Formula:C15H12O2
  • Compound Is Canonicalized:True
  • Exact Mass:240.115
  • Monoisotopic Mass:240.115
  • Complexity:268
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:18
  • 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: AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAAAAAADASgmAIyBoAABACI AqBSAAACCAAkIAAIiAEGCMgMJjKENRqCOSCkwBEIqYeIzLDOoAABAAAQAABAAAIAACAAAAAAAAAA AA==
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