Cas no 101396-15-0 (1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(1-methylethyl) ester)

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(1-methylethyl) ester structure
101396-15-0 structure
Product Name:1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(1-methylethyl) ester
CAS No:101396-15-0
MF:C9H14O7
MW:234.203263759613
CID:97586
Update Time:2025-04-18

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(1-methylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(1-methylethyl) ester
    • 2-hydroxy-2-(2-oxo-2-propan-2-yloxyethyl)butanedioate
    • MDL： MFCD00060079
    • Inchi： 1S/C9H14O7/c1-5(2)16-7(12)4-9(15,8(13)14)3-6(10)11/h5,15H,3-4H2,1-2H3,(H,10,11)(H,13,14)
    • InChI Key： SKHXHUZZFVMERR-UHFFFAOYSA-N
    • SMILES： CC(OC(CC(C(=O)O)(CC(=O)O)O)=O)C

Computed Properties

  • Exact Mass: 234.07392
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7

Experimental Properties

  • PSA: 126.79

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