Chem
J-GLOBAL ID：200907023218690882   Nikkaji number：J216.120F

1-Pyrenebutyric acid

1-ピレン酪酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H16O2
Molecular formula furigana： C20-H16-O2
Molecular weight： 288.346
InChI： InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
InChI key： QXYRRCOJHNZVDJ-UHFFFAOYSA-N
SMILES： OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34
Systematic name  (11)：
  • 4-(1-ピレニル)ブタン酸
  • 4-(1-ピレニル)酪酸
  • ピレン-1-酪酸
  • ピレン-1-ブタン酸
  • 4-(ピレン-1-イル)酪酸
Show all
Other name (12)：
  • 1-Pyrenebutyric acid
  • 1-Pyrenebutanoic acid
  • 4-(Pyren-1-yl)butyric acid
  • 4-(1-Pyrenyl)butyric acid
  • 4-(Pyrene-3-yl)butanoic acid
Show all
CAS registry number： 3443-45-6
Regulation number (2)：
  • EINECS2223547
  • TSCA(3443-45-6)
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