Cas no 113050-03-6 (Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride)

Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride structure
113050-03-6 structure
Product Name:Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride
CAS No:113050-03-6
MF:C12H16ClNO4
MW:273.712742805481
CID:2609950
Update Time:2023-08-07

Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-pyridin-4-ylheptanedioic acid,hydrochloride
    • Heptanedioic acid, 4-(4-pyridinyl)-, hydrochloride
    • 4-(Pyridin-4-yl)heptanedioic acid--hydrogen chloride (1/1)
    • Inchi: 1S/C12H15NO4.ClH/c14-11(15)3-1-9(2-4-12(16)17)10-5-7-13-8-6-10;/h5-9H,1-4H2,(H,14,15)(H,16,17);1H
    • InChI Key: AOINMNQWIDULOU-UHFFFAOYSA-N
    • SMILES: Cl.OC(CCC(C1C=CN=CC=1)CCC(=O)O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 243
  • Topological Polar Surface Area: 87.5
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