Cas no 6051-23-6 (2-(biphenyl-4-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate)

2-(biphenyl-4-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate structure
6051-23-6 structure
Product Name:2-(biphenyl-4-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CAS No:6051-23-6
MF:C12H22O2
MW:198.301884174347
CID:952258
PubChem ID:222470
Update Time:2025-04-19

2-(biphenyl-4-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-(biphenyl-4-yl)-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
    • (+-)-amino-cyclohexyl-acetic acid
    • 2-Cyclohexyl-capronsaeure
    • 2-Cyclohexylglycine
    • 2-cyclohexyl-hexanoic acid
    • 2-Cyclohexylhexanoic acid
    • 2-Cyclohexyl-hexansaeure
    • AC1L5D9B
    • amino(cyclohexyl)acetic acid
    • amino-cyclohexyl-acetic acid
    • Amino-cyclohexylacetic acid
    • aminocyclohexylethanoic acid
    • AN-584
    • cyclohexylglycine
    • DL-cyclohexylglycine
    • Maybridge3_002940
    • SureCN122348
    • Cyclohexaneacetic acid, .alpha.-butyl-
    • SCHEMBL435610
    • 6051-23-6
    • DTXSID901034097
    • NSC8483
    • butylcyclohexylethanoic acid
    • NSC-8483
    • Inchi: 1S/C12H22O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,13,14)
    • InChI Key: UUHSRUZICHRYDT-UHFFFAOYSA-N
    • SMILES: OC(C(CCCC)C1CCCCC1)=O

Computed Properties

  • Exact Mass: 374.11544
  • Monoisotopic Mass: 198.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 171
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 61.83
  • LogP: 3.45770
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