Cas no 7473-77-0 (Dimethyl Phenanthrene-1,9-dicarboxylate)

Dimethyl Phenanthrene-1,9-dicarboxylate structure
7473-77-0 structure
Product Name:Dimethyl Phenanthrene-1,9-dicarboxylate
CAS No:7473-77-0
MF:C18H14O4
MW:294.301365375519
CID:980141
PubChem ID:344033
Update Time:2025-04-19

Dimethyl Phenanthrene-1,9-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl Phenanthrene-1,9-dicarboxylate
    • AC1L7ZNB
    • AG-G-97405
    • CTK5E0423
    • NSC400698
    • NSC-400698
    • 7473-77-0
    • DTXSID70322221
    • DS-010822
    • Inchi: 1S/C18H14O4/c1-21-17(19)14-9-5-8-12-11-6-3-4-7-13(11)16(10-15(12)14)18(20)22-2/h3-10H,1-2H3
    • InChI Key: IFFSYXZUYBQZLH-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C2C(C(=O)OC)=CC=CC2=C2C=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 294.08922
  • Monoisotopic Mass: 294.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 433
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.26
  • Boiling Point: 466.7°C at 760 mmHg
  • Flash Point: 239.7°C
  • Refractive Index: 1.653
  • PSA: 52.6
  • LogP: 3.56620
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