Cas no 630382-89-7 (Cyclobutanecarboxylic acid, 1-(4-iodophenyl)-)

Cyclobutanecarboxylic acid, 1-(4-iodophenyl)- structure
630382-89-7 structure
Product Name:Cyclobutanecarboxylic acid, 1-(4-iodophenyl)-
CAS No:630382-89-7
MF:C11H11IO2
MW:302.108315706253
MDL:MFCD11037078
CID:1646609
PubChem ID:85891904
Update Time:2025-04-21

Cyclobutanecarboxylic acid, 1-(4-iodophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanecarboxylic acid, 1-(4-iodophenyl)-
    • 1-(4-Iodophenyl)cyclobutanecarboxylic acid
    • 1-(4-iodophenyl)cyclobutane-1-carboxylic acid
    • CS-0454460
    • AKOS027420829
    • MFCD11037078
    • SY226742
    • A917544
    • 630382-89-7
    • AC6501
    • DB-180166
    • MDL： MFCD11037078
    • Inchi： 1S/C11H11IO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
    • InChI Key： WLCKXHXXUWWDCQ-UHFFFAOYSA-N
    • SMILES： IC1C=CC(=CC=1)C1(C(=O)O)CCC1

Computed Properties

  • Exact Mass: 301.97993
  • Monoisotopic Mass: 301.98038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 227
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 384.0±35.0 °C at 760 mmHg
  • Flash Point: 186.0±25.9 °C
  • PSA: 37.3
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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