Cas no 36428-96-3 (pyrene-2-carboxylic acid)

pyrene-2-carboxylic acid structure
pyrene-2-carboxylic acid structure
Product Name:pyrene-2-carboxylic acid
CAS No:36428-96-3
MF:C17H10O2
MW:246.260104656219
CID:921326
PubChem ID:334608
Update Time:2025-04-19

pyrene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • pyrene-2-carboxylic acid
    • Pyrene-2-carboxylic acid, HMS2876I14, HMS1473M22
    • 1-pyrenecarboxylic acid
    • 2-Pyrencarbonsaeure
    • AC1L7FR2
    • ChemDiv3_000286
    • CTK4H6447
    • HMS1473M22
    • HMS2876I14
    • NSC340266
    • Pyren-2-carbonsaeure
    • 2-carboxypyrene
    • NSC-340266
    • E75225
    • BS-46202
    • Pyrene-2-carboxylic acid, HMS2876I14, HMS1473M22
    • BRD-K46912708-001-01-0
    • IDI1_019604
    • AKOS000592662
    • CS-0362611
    • CHEMBL1608230
    • MLS001208047
    • 36428-96-3
    • DTXSID00319144
    • Pyrene-2-carboxylicacid
    • SMR000513819
    • NCGC00176476-01
    • SCHEMBL1901737
    • Inchi: 1S/C17H10O2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,(H,18,19)
    • InChI Key: JOPBIBGSCKPRBR-UHFFFAOYSA-N
    • SMILES: OC(C1C=C2C=CC3=CC=CC4=CC=C(C=1)C2=C34)=O

Computed Properties

  • Exact Mass: 246.0681
  • Monoisotopic Mass: 246.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 352
  • 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: 4.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
  • LogP: 4.28220

pyrene-2-carboxylic acid Pricemore >>

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