Cas no 4196-96-7 ( )

  structure
  structure
Product Name: 
CAS No:4196-96-7
MF:C11H14O2
MW:178.227663516998
CID:927598
PubChem ID:263185
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 1-(furan-2-yl)-5-methylhex-1-en-3-one
    • DTXSID40294648
    • 1-(2-furanyl)-5-methyl-1-hexen-3-one
    • 4196-96-7
    •  
    • Inchi: 1S/C11H14O2/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h3-7,9H,8H2,1-2H3
    • InChI Key: ARPBBWPSIYPLJI-UHFFFAOYSA-N
    • SMILES: O=C(C=CC1=CC=CO1)CC(C)C

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.6
  • Topological Polar Surface Area: 30.2?2

Experimental Properties

  • PSA: 30.21
Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD