Cas no 38378-77-7 (1,8-Anthracenedicarboxylic acid)

1,8-Anthracenedicarboxylic acid structure
38378-77-7 structure
Product Name:1,8-Anthracenedicarboxylic acid
CAS No:38378-77-7
MF:C16H10O4
MW:266.248204708099
CID:1489648
PubChem ID:13659966
Update Time:2025-04-21

1,8-Anthracenedicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,8-Anthracenedicarboxylic acid
    • anthracene-1,8-dicarboxylic acid
    • Anthracen-1,8-dicarbonsaeure
    • Anthracen-dicarbonsaeure-(1,8)
    • 38378-77-7
    • DTXSID20546036
    • SCHEMBL71261
    • 4,5-anthracenedicarboxylic
    • Inchi: 1S/C16H10O4/c17-15(18)11-5-1-3-9-7-10-4-2-6-12(16(19)20)14(10)8-13(9)11/h1-8H,(H,17,18)(H,19,20)
    • InChI Key: HVDGDWCHFUHZMF-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC2=CC3C=CC=C(C(=O)O)C=3C=C21)=O

Computed Properties

  • Exact Mass: 266.05800
  • Monoisotopic Mass: 266.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 369
  • 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: 3.2
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.60000
  • LogP: 3.38940

1,8-Anthracenedicarboxylic acid Production Method

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