Cas no 5464-46-0 (1,2,3-Butanetricarboxylicacid, 1-oxo-, 1,2,3-triethyl ester)

1,2,3-Butanetricarboxylicacid, 1-oxo-, 1,2,3-triethyl ester structure
5464-46-0 structure
Product Name:1,2,3-Butanetricarboxylicacid, 1-oxo-, 1,2,3-triethyl ester
CAS No:5464-46-0
MF:C13H20O7
MW:288.293704986572
CID:382164
PubChem ID:225948
Update Time:2025-04-19

1,2,3-Butanetricarboxylicacid, 1-oxo-, 1,2,3-triethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Butanetricarboxylicacid, 1-oxo-, 1,2,3-triethyl ester
    • triethyl 1-oxobutane-1,2,3-tricarboxylate
    • 1-Oxo-butan-1,2,3-tricarbonsaeure-triaethylester
    • 1-oxo-butane-1,2,3-tricarboxylic acid triethyl ester
    • diethyl 3-ethoxycarbonyl-4-methyl-2-oxopentanedioate
    • Oxalbrenzweinsaeure-triaethylester
    • DTXSID50280198
    • NSC-15854
    • 5464-46-0
    • NSC15854
    • NSC 15854
    • Inchi: 1S/C13H20O7/c1-5-18-11(15)8(4)9(12(16)19-6-2)10(14)13(17)20-7-3/h8-9H,5-7H2,1-4H3
    • InChI Key: RYNYXETZYVJRKY-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C)C(C(=O)OCC)C(C(=O)OCC)=O)=O

Computed Properties

  • Exact Mass: 288.12100
  • Monoisotopic Mass: 288.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 11
  • Complexity: 375
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 96?2

Experimental Properties

  • Density: 1.146
  • Boiling Point: 375.1°Cat760mmHg
  • Flash Point: 163.3°C
  • Refractive Index: 1.449
  • PSA: 95.97000
  • LogP: 0.49710
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