Cas no 41115-75-7 (Phenoxy, 3-methyl-)

Phenoxy, 3-methyl- structure
Phenoxy, 3-methyl- structure
Product Name:Phenoxy, 3-methyl-
CAS No:41115-75-7
MF:C7H7O
MW:107.129882097244
CID:334343
PubChem ID:142515
Update Time:2025-04-19

Phenoxy, 3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Phenoxy, 3-methyl-
    • 1-λ<sup>1</sup>-oxidanyl-3-methylbenzene
    • 3-Methyl-phenoxy
    • DTXSID10194060
    • 3-Me-phenoxy
    • 41115-75-7
    • Inchi: 1S/C7H7O/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
    • InChI Key: UGRMITBWUVWUEB-UHFFFAOYSA-N
    • SMILES: [O]C1=CC=CC(C)=C1 |^1:0|

Computed Properties

  • Exact Mass: 108.05754
  • Monoisotopic Mass: 107.049689843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 70.8
  • 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: 2
  • Topological Polar Surface Area: 1?2

Experimental Properties

  • PSA: 20.23
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