Cas no 36440-29-6 (trimethyl 1,3,6-naphthalenetricarboxylate)

trimethyl 1,3,6-naphthalenetricarboxylate structure
36440-29-6 structure
Product Name:trimethyl 1,3,6-naphthalenetricarboxylate
CAS No:36440-29-6
MF:C16H14O6
MW:302.278765201569
CID:921360
Update Time:2023-11-19

trimethyl 1,3,6-naphthalenetricarboxylate Chemical and Physical Properties

Names and Identifiers

    • 1,3,6-tricarbomethoxynaphthalene
    • Trimethyl 1,3,6-naphthalenetricarboxylate
    • CID 101078787
    • 1,3,6-Naphthalenetricarboxylic acid, 1,3,6-trimethyl ester
    • trimethyl 1,3,6-naphthalenetricarboxylate
    • Inchi： 1S/C16H14O6/c1-20-14(17)9-4-5-12-10(6-9)7-11(15(18)21-2)8-13(12)16(19)22-3/h4-8H,1-3H3
    • InChI Key： AKWLIZLUDRYABC-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=C(C(=O)OC)C=C2C=C(C(=O)OC)C=CC2=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 446
  • Topological Polar Surface Area: 78.9

Experimental Properties

  • Density: 1.274±0.06 g/cm3(Predicted)
  • Boiling Point: 438.3±25.0 °C(Predicted)

trimethyl 1,3,6-naphthalenetricarboxylate Related Literature

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