Cas no 5671-87-4 (2-tert-butylbutanedioic acid)

2-tert-butylbutanedioic acid structure
2-tert-butylbutanedioic acid structure
Product Name:2-tert-butylbutanedioic acid
CAS No:5671-87-4
MF:C8H14O4
MW:174.194363117218
CID:3401626
PubChem ID:13207311
Update Time:2025-04-21

2-tert-butylbutanedioic acid Chemical and Physical Properties

Names and Identifiers

    • BUTANEDIOIC ACID, (1,1-DIMETHYLETHYL)-
    • Butanedioic acid, 2-(1,1-dimethylethyl)-
    • 2-tert-butylbutanedioic acid
    • 2-(tert-butyl)succinic acid
    • EN300-1843049
    • SCHEMBL1941444
    • 5671-87-4
    • G89676
    • Inchi: 1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)
    • InChI Key: YWCIQVCLMJYZBD-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(C(C)(C)C)CC(O)=O

Computed Properties

  • Exact Mass: 174.08920892Da
  • Monoisotopic Mass: 174.08920892Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 74.6?2

2-tert-butylbutanedioic acid Pricemore >>

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