Cas no 5349-56-4 (Propanoic acid,3-methoxy-, propyl ester)

Propanoic acid,3-methoxy-, propyl ester structure
5349-56-4 structure
Product Name:Propanoic acid,3-methoxy-, propyl ester
CAS No:5349-56-4
MF:C7H14O3
MW:146.184262752533
CID:379739
PubChem ID:219670
Update Time:2025-04-19

Propanoic acid,3-methoxy-, propyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3-methoxy-, propyl ester
    • propyl 3-methoxypropanoate
    • 3-methoxy-propionic acid propyl ester
    • 3-Methoxy-propionsaeure-propylester
    • AC1L578X
    • AC1Q66OE
    • AG-F-83832
    • AR-1L2387
    • CTK4J8218
    • NSC1257
    • DTXSID60277231
    • propyl 3-methoxypropionate
    • PROPIONIC ACID, 3-METHOXY-, PROPYL ESTER
    • 5349-56-4
    • AKOS011882401
    • SCHEMBL141329
    • 3-methoxy-propanoic acid propyl ester
    • 3R2JZF4PL7
    • NSC-1257
    • 3-METHOXYPROPIONIC ACID, PROPYL ESTER
    • NSC 1257
    • Propanoic acid, 3-methoxy-, propyl ester
    • Inchi: 1S/C7H14O3/c1-3-5-10-7(8)4-6-9-2/h3-6H2,1-2H3
    • InChI Key: JCMFJIHDWDKYIL-UHFFFAOYSA-N
    • SMILES: O(C(CCOC)=O)CCC

Computed Properties

  • Exact Mass: 146.09432
  • Monoisotopic Mass: 146.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 6
  • Complexity: 90.9
  • 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: 0.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.0429 (rough estimate)
  • Boiling Point: 205.8°C (rough estimate)
  • Refractive Index: 1.4850 (estimate)
  • PSA: 35.53
  • LogP: 0.97610
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