Cas no 111376-50-2 (3-3-(methoxycarbonyl)phenylpropanoic acid)

3-3-(methoxycarbonyl)phenylpropanoic acid structure
111376-50-2 structure
Product Name:3-3-(methoxycarbonyl)phenylpropanoic acid
CAS No:111376-50-2
MF:C11H12O4
MW:208.210583686829
MDL:MFCD15527688
CID:1072285
PubChem ID:10035947
Update Time:2025-04-20

3-3-(methoxycarbonyl)phenylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-[3-(Methoxycarbonyl)phenyl]propanoic acid
    • 3-(3-(methoxycarbonyl)phenyl)propanoic acid
    • 3-3-(methoxycarbonyl)phenylpropanoic acid
    • 111376-50-2
    • SCHEMBL6160155
    • SY337302
    • 3-(3-methoxycarbonylphenyl)propanoic Acid
    • AKOS004912516
    • A1-20589
    • CS-0301959
    • 3-(Methoxycarbonyl)benZenepropanoic acid
    • 3-(3-(methoxycarbonyl)phenyl)propanoicacid
    • WS-02429
    • D95472
    • EN300-1845772
    • MFCD15527688
    • OFPPVELHHQODQJ-UHFFFAOYSA-N
    • MDL: MFCD15527688
    • Inchi: 1S/C11H12O4/c1-15-11(14)9-4-2-3-8(7-9)5-6-10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
    • InChI Key: OFPPVELHHQODQJ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC(=C1)CCC(=O)O)=O

Computed Properties

  • Exact Mass: 208.07355886g/mol
  • Monoisotopic Mass: 208.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 237
  • 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: 2.2
  • Topological Polar Surface Area: 63.6?2

3-3-(methoxycarbonyl)phenylpropanoic acid Pricemore >>

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