Cas no 19763-41-8 (1,2,3-Tridecanetricarboxylicacid, 2-hydroxy- (8CI,9CI))

1,2,3-Tridecanetricarboxylicacid, 2-hydroxy- (8CI,9CI) structure
19763-41-8 structure
Product Name:1,2,3-Tridecanetricarboxylicacid, 2-hydroxy- (8CI,9CI)
CAS No:19763-41-8
MF:C16H28O7
MW:332.389326095581
CID:181583
PubChem ID:152262
Update Time:2025-04-19

1,2,3-Tridecanetricarboxylicacid, 2-hydroxy- (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Tridecanetricarboxylicacid, 2-hydroxy- (8CI,9CI)
    • 2-hydroxytridecane-1,2,3-tricarboxylic acid
    • 1,2,3-Tridecanetricarboxylic acid, 2-hydroxy-
    • 3-C-carboxy-2-decyl-2,4-dideoxypentaric acid
    • 3-C-carboxy-4-decyl-2,4-dideoxy-D-erythro-pentaric acid
    • Decylcitric acid
    • 19763-41-8
    • Monodecyl citrate
    • DTXSID00941525
    • SCHEMBL9513717
    • Inchi: 1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)
    • InChI Key: DQIHPEKINXOMBM-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)(CC(=O)O)C(C(=O)O)CCCCCCCCCC

Computed Properties

  • Exact Mass: 332.184
  • Monoisotopic Mass: 332.184
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 14
  • Complexity: 394
  • 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: 3.2
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • Density: 1.211
  • Boiling Point: 434.3°Cat760mmHg
  • Flash Point: 230.6°C
  • Refractive Index: 1.511
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