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Home> Encyclopedia > Hot Product Listed 2   > 2-Cyclopentene-1-heptanoicacid
406727-23-9 structure

2-Cyclopentene-1-heptanoicacid

Iupac Name:ethyl 2-(4-methyl-1,3-thiazol-5-yl)acetate
CAS No.:406727-23-9
Molecular Weight:185.241
Molecular Formula:C23H30N2O2 (isomer)
Names and Identifiers
Synonyms

(?à)-2-Cyclopentene-1-heptanoicacid Aleprylic acid dl-Aleprylic acid

Inchi
InChI=1S/C8H11NO2S/c1-3-11-8(10)4-7-6(2)9-5-12-7/h5H,3-4H2,1-2H3
InChkey
HFPMUOCJRDVCQR-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CC1=C(N=CS1)C
Properties
Density
1.32
Boiling Point
731.4°Cat760mmHg
Computational chemical data
  • Molecular Weight:185.241g/mol
  • Molecular Formula:C23H30N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:185.051
  • Monoisotopic Mass:185.051
  • Complexity:163
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:67.4A^2
  • Heavy Atom Count:12
  • 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: AAADccByMABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQAAAAACAih1gaGiRIIFAis AQTxTAAA8KBxCDgAWBU4QAgAIBJghAAGAAAkQAFISAKsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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