Cas no 113520-36-8 (1,4-Phenylenediacetic Acid Ethyl Ester)

1,4-Phenylenediacetic Acid Ethyl Ester structure
113520-36-8 structure
Product Name:1,4-Phenylenediacetic Acid Ethyl Ester
CAS No:113520-36-8
MF:C12H13O4
MW:221.229223966599
CID:1061460
PubChem ID:71337416
Update Time:2025-04-20

1,4-Phenylenediacetic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • 1,4-Phenylenediacetic Acid Ethyl Ester
    • 2-[4-(2-ethoxy-2-oxoethyl)phenyl]acetate
    • DTXSID70765134
    • AKOS030254809
    • 113520-36-8
    • [4-(2-Ethoxy-2-oxoethyl)phenyl]acetate
    • 1,4-Benzenediacetic Acid Ethyl Ester; p-Benzenediacetic Acid Ethyl Ester; p-Phenylenediacetic Acid Ethyl Ester
    • Inchi: 1S/C12H14O4/c1-2-16-12(15)8-10-5-3-9(4-6-10)7-11(13)14/h3-6H,2,7-8H2,1H3,(H,13,14)/p-1
    • InChI Key: YFPODNJJKNPQDP-UHFFFAOYSA-M
    • SMILES: O(CC)C(CC1C=CC(CC(=O)[O-])=CC=1)=O

Computed Properties

  • Exact Mass: 221.08138389g/mol
  • Monoisotopic Mass: 221.08138389g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 236
  • 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: 2.4
  • Topological Polar Surface Area: 66.4?2

1,4-Phenylenediacetic Acid Ethyl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
P319730-250mg
1,4-Phenylenediacetic Acid Ethyl Ester
113520-36-8
250mg
$ 184.00 2023-09-06
TRC
P319730-2.5g
1,4-Phenylenediacetic Acid Ethyl Ester
113520-36-8
2.5g
$ 1455.00 2023-09-06
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