Cas no 30582-03-7 (Pyrene, dimethyl-)

Pyrene, dimethyl- structure
Pyrene, dimethyl- structure
Product Name:Pyrene, dimethyl-
CAS No:30582-03-7
MF:C18H14
MW:230.303764820099
CID:306084
PubChem ID:156530
Update Time:2025-04-19

Pyrene, dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Pyrene, dimethyl-
    • 1,2-dimethylpyrene
    • Dimethylpyrene
    • Pyrene,1,2-dimethyl
    • Pyrene,dimethyl
    • K9Z2B88WJ0
    • UNII-9C97WG0BE2
    • UNII-K9Z2B88WJ0
    • 30582-03-7
    • 74869-48-0
    • 9C97WG0BE2
    • Q27272350
    • DTXSID70904788
    • Pyrene, 1,2-dimethyl-
    • Inchi: 1S/C18H14/c1-11-10-15-7-6-13-4-3-5-14-8-9-16(12(11)2)18(15)17(13)14/h3-10H,1-2H3
    • InChI Key: UOUUKBKHBOFSJV-UHFFFAOYSA-N
    • SMILES: C12C3=CC=C4C=CC=C(C=CC1=C(C)C(C)=C3)C=24

Computed Properties

  • Exact Mass: 230.11000
  • Monoisotopic Mass: 230.109550447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 320
  • 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
  • Topological Polar Surface Area: 0?2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.8

Experimental Properties

  • PSA: 0.00000
  • LogP: 5.20080

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