Cas no 897660-84-3 (4-oxo-1-propylcyclohexane-1-carboxylic acid)

4-Oxo-1-propylcyclohexane-1-carboxylic acid is a cyclic keto acid derivative with a propyl substituent at the 1-position, offering a versatile structure for synthetic applications. Its carbonyl and carboxyl functional groups make it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The compound’s rigid cyclohexane backbone enhances stereochemical control in reactions, while the propyl group can influence solubility and reactivity. Its well-defined structure allows for precise modifications, making it useful in medicinal chemistry for scaffold diversification. The product is typically characterized by high purity and stability, ensuring consistent performance in research and industrial processes.
4-oxo-1-propylcyclohexane-1-carboxylic acid structure
897660-84-3 structure
Product Name:4-oxo-1-propylcyclohexane-1-carboxylic acid
CAS No:897660-84-3
MF:C10H16O3
MW:184.232243537903
CID:2152972
PubChem ID:66583369
Update Time:2025-11-02

4-oxo-1-propylcyclohexane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-oxo-1-propyl-cyclohexanecarboxylic acid
    • 4-oxo-1-propylcyclohexane-1-carboxylic acid
    • Inchi: 1S/C10H16O3/c1-2-5-10(9(12)13)6-3-8(11)4-7-10/h2-7H2,1H3,(H,12,13)
    • InChI Key: RFFOMLCWHVAHPF-UHFFFAOYSA-N
    • SMILES: OC(C1(CCC)CCC(CC1)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 210
  • Topological Polar Surface Area: 54.4

4-oxo-1-propylcyclohexane-1-carboxylic acid Pricemore >>

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