Cas no 13098-94-7 ((4-methoxyphenyl) Propanoate)

(4-methoxyphenyl) Propanoate structure
(4-methoxyphenyl) Propanoate structure
Product Name:(4-methoxyphenyl) Propanoate
CAS No:13098-94-7
MF:C10H12O3
MW:180.200483322144
CID:1227065
PubChem ID:221438
Update Time:2025-04-20

(4-methoxyphenyl) Propanoate Chemical and Physical Properties

Names and Identifiers

    • (4-methoxyphenyl) Propanoate
    • 4-methoxyphenyl propanoate
    • AC1Q61D8
    • 1-Methoxy-4-propionyloxy-benzol
    • AR-1H7405
    • SureCN819434
    • Propansaeure-(4-methoxyphenyl)ester
    • NSC6014
    • 1-methoxy-4-propionyloxy-benzene
    • CTK0I0686
    • AC1L5A9G
    • O-Methyl-O'-propionyl-hydrochinon
    • 4-Methoxyphenyl-propionat
    • Propionsaeure-(4-methoxy-phenylester)
    • 1-Methoxy-4-propionyloxy-benzol;O-Methyl-O'-propionyl-hydrochinon;4-methoxyphenyl propanoate;1-methoxy-4-propionyloxy-benzene;4-Methoxyphenyl-propionat;
    • Benzenemethanol,4-methoxy-,1-propanoate
    • SCHEMBL819434
    • 4-Methoxyphenyl propionate
    • NSC-6014
    • Benzenemethanol,4-methoxy-, 1-propanoate
    • ZJTDCIZEZMJDEN-UHFFFAOYSA-N
    • Trimethylsilyl 6-[methyl(trimethylsilyl)amino]-2-[(trimethylsilyl)amino]hexanoate
    • DTXSID90278094
    • 13098-94-7
    • Propanoic acid, 4-methoxyphenyl ester
    • AKOS002953175
    • Inchi： 1S/C10H12O3/c1-3-10(11)13-9-6-4-8(12-2)5-7-9/h4-7H,3H2,1-2H3
    • InChI Key： ZJTDCIZEZMJDEN-UHFFFAOYSA-N
    • SMILES： O(C(CC)=O)C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 180.07900
  • Monoisotopic Mass: 180.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 160
  • 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: 2
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.075
  • Boiling Point: 263.4°C at 760 mmHg
  • Flash Point: 104.6°C
  • Refractive Index: 1.495
  • PSA: 35.53000
  • LogP: 2.01060

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