Cas no 2955-61-5 (Octanoic acid, 6-oxo-, methyl ester)

Octanoic acid, 6-oxo-, methyl ester structure
2955-61-5 structure
Product Name:Octanoic acid, 6-oxo-, methyl ester
CAS No:2955-61-5
MF:C9H16O3
MW:172.221543312073
CID:1438762
PubChem ID:11309799
Update Time:2025-04-20

Octanoic acid, 6-oxo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Octanoic acid, 6-oxo-, methyl ester
    • methyl 6-oxooctanoate
    • DTXSID40461878
    • 2955-61-5
    • QRRWOBZFNSPXOO-UHFFFAOYSA-N
    • DA-19977
    • SCHEMBL9736474
    • Inchi： 1S/C9H16O3/c1-3-8(10)6-4-5-7-9(11)12-2/h3-7H2,1-2H3
    • InChI Key： QRRWOBZFNSPXOO-UHFFFAOYSA-N
    • SMILES： O=C(CC)CCCCC(=O)OC

Computed Properties

  • Exact Mass: 172.10998
  • Monoisotopic Mass: 172.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 152
  • 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: 1
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Octanoic acid, 6-oxo-, methyl ester Related Literature

2955-61-5 (Octanoic acid, 6-oxo-, methyl ester) Related Products

Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.