Cas no 51604-72-9 (2,6-Pyridinedicarboxylic acid, bis(1-methylethyl) ester)

2,6-Pyridinedicarboxylic acid, bis(1-methylethyl) ester structure
51604-72-9 structure
Product Name:2,6-Pyridinedicarboxylic acid, bis(1-methylethyl) ester
CAS No:51604-72-9
MF:C13H17NO4
MW:251.278383970261
CID:361877
PubChem ID:746767
Update Time:2025-04-19

2,6-Pyridinedicarboxylic acid, bis(1-methylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 2,6-Pyridinedicarboxylic acid, bis(1-methylethyl) ester
    • dipropan-2-yl pyridine-2,6-dicarboxylate
    • NCGC00177215-02
    • HMS1473J20
    • IDI1_019536
    • diisopropyl 2,6-pyridinedicarboxylate
    • CCG-103571
    • 2,6-Pyridinedicarboxylic acid, diisopropyl ester
    • AB00366101-03
    • BRD-K78906484-001-01-3
    • CPWRDMOUBGOUGY-UHFFFAOYSA-N
    • DTXSID50110022
    • SR-01000394165-1
    • ChemDiv3_000218
    • Diisopropyl pyridine-2,6-dicarboxylate
    • 2,6-BIS(PROPAN-2-YL) PYRIDINE-2,6-DICARBOXYLATE
    • 51604-72-9
    • NCGC00177215-01
    • SR-01000394165
    • Oprea1_632816
    • AKOS000445165
    • EU-0067429
    • Inchi: 1S/C13H17NO4/c1-8(2)17-12(15)10-6-5-7-11(14-10)13(16)18-9(3)4/h5-9H,1-4H3
    • InChI Key: CPWRDMOUBGOUGY-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C(=O)OC(C)C)N=1)=O)C(C)C

Computed Properties

  • Exact Mass: 251.11581
  • Monoisotopic Mass: 251.11575802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 273
  • 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: 2.8
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • PSA: 65.49

2,6-Pyridinedicarboxylic acid, bis(1-methylethyl) ester Pricemore >>

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