Cas no 7512-51-8 (4-(acetylamino)naphthalene-1,2-diyl diacetate)

4-(acetylamino)naphthalene-1,2-diyl diacetate structure
7512-51-8 structure
Product Name:4-(acetylamino)naphthalene-1,2-diyl diacetate
CAS No:7512-51-8
MF:C16H15NO5
MW:301.294004678726
CID:981525
PubChem ID:344319
Update Time:2025-04-19

4-(acetylamino)naphthalene-1,2-diyl diacetate Chemical and Physical Properties

Names and Identifiers

    • 4-(acetylamino)naphthalene-1,2-diyl diacetate
    • (4-acetamido-1-acetyloxynaphthalen-2-yl) acetate
    • NSC-401172
    • 7512-51-8
    • DTXSID50322401
    • 4-Acetamido-1,2-diacetoxynaphthalene
    • 4-(Acetylamino)-1-(acetyloxy)-2-naphthyl acetate #
    • NSC401172
    • MSHMFGASJKZGSJ-UHFFFAOYSA-N
    • Inchi: 1S/C16H15NO5/c1-9(18)17-14-8-15(21-10(2)19)16(22-11(3)20)13-7-5-4-6-12(13)14/h4-8H,1-3H3,(H,17,18)
    • InChI Key: MSHMFGASJKZGSJ-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1C(=CC(=C2C=CC=CC2=1)NC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 301.09505
  • Monoisotopic Mass: 301.09502258g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 450
  • 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: 1.9
  • Topological Polar Surface Area: 81.7?2

Experimental Properties

  • PSA: 81.7
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