Cas no 551-04-2 (1-Naphthaleneaceticacid, propyl ester)

1-Naphthaleneaceticacid, propyl ester structure
551-04-2 structure
Product Name:1-Naphthaleneaceticacid, propyl ester
CAS No:551-04-2
MF:C15H16O2
MW:228.286344528198
CID:374514
PubChem ID:239439
Update Time:2025-04-19

1-Naphthaleneaceticacid, propyl ester Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthaleneaceticacid, propyl ester
    • propyl 2-naphthalen-1-ylacetate
    • AC1Q66NY
    • AR-1L2356
    • CTK5A3046
    • n-Propyl-1-naphthylacetat
    • NSC44526
    • propyl 1-naphthylacetate
    • MZIHHQHACSMVIF-UHFFFAOYSA-N
    • DTXSID00286261
    • naphthalene-1-acetic acid propyl ester
    • 551-04-2
    • NSC-44526
    • SCHEMBL10810930
    • PROPYL 2-(NAPHTHALEN-1-YL)ACETATE
    • AKOS004117599
    • Inchi: 1S/C15H16O2/c1-2-10-17-15(16)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11H2,1H3
    • InChI Key: MZIHHQHACSMVIF-UHFFFAOYSA-N
    • SMILES: O(CCC)C(CC1C=CC=C2C=CC=CC=12)=O

Computed Properties

  • Exact Mass: 228.11508
  • Monoisotopic Mass: 228.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 249
  • 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
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.09
  • Boiling Point: 346.8°Cat760mmHg
  • Flash Point: 144.4°C
  • Refractive Index: 1.576
  • PSA: 26.3
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