Cas no 6321-67-1 (4-(4-methylphenanthren-1-yl)butanoic Acid)

4-(4-methylphenanthren-1-yl)butanoic Acid structure
6321-67-1 structure
Product Name:4-(4-methylphenanthren-1-yl)butanoic Acid
CAS No:6321-67-1
MF:C19H18O2
MW:278.345025539398
CID:959251
PubChem ID:232863
Update Time:2025-04-19

4-(4-methylphenanthren-1-yl)butanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-(4-methylphenanthren-1-yl)butanoic Acid
    • 4-(4-Methyl-[1]phenanthryl)-buttersaeure
    • 4-(4-methyl-[1]phenanthryl)-butyric acid
    • 4-(4-Methyl-1-phenanthryl)buttersaeure
    • AC1L5OTI
    • AC1Q5W17
    • AG-K-01710
    • AR-1F6373
    • CTK5B8141
    • NSC30827
    • NSC-30827
    • DTXSID00283295
    • 6321-67-1
    • Inchi: 1S/C19H18O2/c1-13-9-10-15(6-4-8-18(20)21)17-12-11-14-5-2-3-7-16(14)19(13)17/h2-3,5,7,9-12H,4,6,8H2,1H3,(H,20,21)
    • InChI Key: OPECTSSXLXTIME-UHFFFAOYSA-N
    • SMILES: OC(CCCC1C=CC(C)=C2C3C=CC=CC=3C=CC2=1)=O

Computed Properties

  • Exact Mass: 278.13074
  • Monoisotopic Mass: 278.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 365
  • 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: 4.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.187
  • Boiling Point: 497.4°C at 760 mmHg
  • Flash Point: 393.9°C
  • Refractive Index: 1.665
  • PSA: 37.3
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