Cas no 2229595-58-6 (2-5-(methoxycarbonyl)thiophen-2-yl-2-methylpropanoic acid)

2-5-(methoxycarbonyl)thiophen-2-yl-2-methylpropanoic acid structure
2229595-58-6 structure
Product Name:2-5-(methoxycarbonyl)thiophen-2-yl-2-methylpropanoic acid
CAS No:2229595-58-6
MF:C10H12O4S
MW:228.264882087708
CID:5903903
PubChem ID:165882371
Update Time:2023-12-14

2-5-(methoxycarbonyl)thiophen-2-yl-2-methylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-5-(methoxycarbonyl)thiophen-2-yl-2-methylpropanoic acid
    • 2-[5-(methoxycarbonyl)thiophen-2-yl]-2-methylpropanoic acid
    • 2229595-58-6
    • EN300-1787240
    • Inchi: 1S/C10H12O4S/c1-10(2,9(12)13)7-5-4-6(15-7)8(11)14-3/h4-5H,1-3H3,(H,12,13)
    • InChI Key: YUJTXJWMECBYRA-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OC)=CC=C1C(C(=O)O)(C)C

Computed Properties

  • Exact Mass: 228.04563003g/mol
  • Monoisotopic Mass: 228.04563003g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 275
  • 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: 91.8?2

2-5-(methoxycarbonyl)thiophen-2-yl-2-methylpropanoic acid Pricemore >>

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