Cas no 63018-40-6 (Benzaanthracene-7-acetic Acid Methyl Ester)

Benzaanthracene-7-acetic Acid Methyl Ester structure
63018-40-6 structure
Product Name:Benzaanthracene-7-acetic Acid Methyl Ester
CAS No:63018-40-6
MF:C21H16O2
MW:300.350545883179
CID:1058889
PubChem ID:44261
Update Time:2025-04-20

Benzaanthracene-7-acetic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Benz[a]anthracene-7-acetic Acid Methyl Ester
    • Methyl Benz[a]anthracene-7-acetate
    • methyl 2-benzo[a]anthracen-7-ylacetate
    • DB-264344
    • 1,2-Benzanthracene-10-acetic acid, methyl ester
    • 63018-40-6
    • BENZ(a)ANTHRACEN-7-ACETIC ACID, METHYL ESTER
    • DTXSID40212241
    • Benzaanthracene-7-acetic Acid Methyl Ester
    • Inchi: 1S/C21H16O2/c1-23-21(22)13-20-17-9-5-3-7-15(17)12-19-16-8-4-2-6-14(16)10-11-18(19)20/h2-12H,13H2,1H3
    • InChI Key: NPXQCYDDEJLMFO-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1C2C=CC=CC=2C=C2C3C=CC=CC=3C=CC2=1)=O

Computed Properties

  • Exact Mass: 300.11500
  • Monoisotopic Mass: 300.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 432
  • 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: 26.3A^2
  • XLogP3: 5.5

Experimental Properties

  • Density: 1.1027 (rough estimate)
  • Boiling Point: 401.58°C (rough estimate)
  • Flash Point: 206.3°C
  • Refractive Index: 1.5680 (estimate)
  • PSA: 26.30000
  • LogP: 4.86170

Benzaanthracene-7-acetic Acid Methyl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B183575-25mg
Benz[a]anthracene-7-acetic Acid Methyl Ester
63018-40-6
25mg
$ 236.00 2023-04-19
TRC
B183575-250mg
Benz[a]anthracene-7-acetic Acid Methyl Ester
63018-40-6
250mg
$ 1860.00 2023-04-19
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