Cas no 7473-72-5 (phenanthrene-3,9-dicarboxylic acid)

phenanthrene-3,9-dicarboxylic acid structure
7473-72-5 structure
Product Name:phenanthrene-3,9-dicarboxylic acid
CAS No:7473-72-5
MF:C16H10O4
MW:266.248204708099
CID:980138
PubChem ID:344027
Update Time:2025-04-19

phenanthrene-3,9-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • phenanthrene-3,9-dicarboxylic acid
    • 3,9-Phenanthrenedicarboxylic acid
    • AC1L7ZMT
    • NSC400690
    • Phenanthren-3,9-dicarbonsaeure
    • 7473-72-5
    • NSC-400690
    • DTXSID40322218
    • Inchi: 1S/C16H10O4/c17-15(18)10-6-5-9-7-14(16(19)20)12-4-2-1-3-11(12)13(9)8-10/h1-8H,(H,17,18)(H,19,20)
    • InChI Key: ODPVIAXXFBPWEB-UHFFFAOYSA-N
    • SMILES: OC(C1C=C2C=CC(C(=O)O)=CC2=C2C=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 266.0579
  • Monoisotopic Mass: 266.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 405
  • 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: 3.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.457
  • Boiling Point: 528.2°C at 760 mmHg
  • Flash Point: 287.3°C
  • Refractive Index: 1.768
  • PSA: 74.6
  • LogP: 3.38940
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