Cas no 68767-16-8 (2-(4-((2-Oxocyclohexyl)methyl)phenyl)propanoic acid)

2-(4-((2-Oxocyclohexyl)methyl)phenyl)propanoic acid structure
68767-16-8 structure
Product Name:2-(4-((2-Oxocyclohexyl)methyl)phenyl)propanoic acid
CAS No:68767-16-8
MF:C16H20O3
MW:260.328205108643
CID:1034811
PubChem ID:13391493
Update Time:2025-04-20

2-(4-((2-Oxocyclohexyl)methyl)phenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-((2-Oxocyclohexyl)methyl)phenyl)propanoic acid
    • 2-[4-[(2-oxocyclohexyl)methyl]phenyl]propanoic acid
    • 3-(CARBOXYMETHYL)-6-(3-HYDROXYPHENYL)-4-METHYL-2-OXOMORPHOLIN-4-IUM CHLORIDE
    • (+/-)-2-[4-(2-oxocyclohexylmethyl)phenyl]propionic acid
    • 2-(4-((2-Oxocyclohexyl)methyl)phenyl)propanoicacid
    • (+/-)-2-[4-(2-oxocyclohexylmethyl)phenyl]-propionic acid
    • DTXSID10539139
    • SCHEMBL9063273
    • 68767-16-8
    • JLGLDJKSKWKYNN-UHFFFAOYSA-N
    • CHEMBL304049
    • 2-{4-[(2-Oxocyclohexyl)methyl]phenyl}propanoic acid
    • 2-[4-(2-oxocyclohexan-1-ylmethyl)phenyl]propionic acid
    • 2-[4-(2-Oxocyclohexan-1-ylmethyl)phenyl]-propionic Acid
    • DB-291790
    • MDL： MFCD00870908
    • Inchi： 1S/C16H20O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-9,11,14H,2-5,10H2,1H3,(H,18,19)
    • InChI Key： JLGLDJKSKWKYNN-UHFFFAOYSA-N
    • SMILES： O=C1CCCCC1CC1C=CC(C(C(=O)O)C)=CC=1

Computed Properties

  • Exact Mass: 260.14124450g/mol
  • Monoisotopic Mass: 260.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 329
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 54.4?2

2-(4-((2-Oxocyclohexyl)methyl)phenyl)propanoic acid Pricemore >>

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