Cas no 1131614-78-2 (4-(Hexyloxy)-3-iodobenzoic acid)

4-(Hexyloxy)-3-iodobenzoic acid structure
1131614-78-2 structure
Product Name:4-(Hexyloxy)-3-iodobenzoic acid
CAS No:1131614-78-2
MF:C13H17IO3
MW:348.176756620407
CID:1030590
PubChem ID:44828901
Update Time:2025-04-20

4-(Hexyloxy)-3-iodobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(Hexyloxy)-3-iodobenzoic acid
    • 4-hexoxy-3-iodobenzoic acid
    • 4-hexoxy-3-iodanyl-benzoic acid
    • AK133774
    • CTK8E2170
    • FT-0657184
    • KB-145206
    • SBB067999
    • DB-060439
    • 1131614-78-2
    • A802920
    • SCHEMBL25788104
    • AKOS015843142
    • DTXSID90660990
    • 4-(Hexyloxy)-3-iodobenzoicacid
    • Inchi: 1S/C13H17IO3/c1-2-3-4-5-8-17-12-7-6-10(13(15)16)9-11(12)14/h6-7,9H,2-5,8H2,1H3,(H,15,16)
    • InChI Key: LHVYCDHEIWPZAI-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)O)C=CC=1OCCCCCC

Computed Properties

  • Exact Mass: 348.022
  • Monoisotopic Mass: 348.022
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 233
  • 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
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 4.4

4-(Hexyloxy)-3-iodobenzoic acid Pricemore >>

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