Cas no 172820-60-9 (1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester)

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester structure
172820-60-9 structure
Product Name:1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester
CAS No:172820-60-9
MF:C8H14O8
MW:238.191963672638
CID:172395
Update Time:2024-01-25

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester
    • 1,2,3-propanetricarboxylic acid, 2-hydroxy-, 1-ethyl ester
    • 2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid
    • 2-(2-Ethoxy-2-oxoethyl)-2-hydroxysuccinic acid
    • 250-122-5
    • Inchi: 1S/C6H8O7.C2H6O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,2H2,1H3
    • InChI Key: QJWQYOHBMUQHGZ-UHFFFAOYSA-N
    • SMILES: C(O)C.C(O)(C(=O)O)(CC(=O)O)CC(=O)O

Computed Properties

  • Exact Mass: 218.0426
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 230
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 1.459
  • Boiling Point: 432.7°C at 760 mmHg
  • Flash Point: 174.8°C
  • Refractive Index: 1.515
  • PSA: 126.79
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