3-trimethylsilylpropionic -2,2,3,3-d4-acid | SBID = 293 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 19
PubChem TPSA/Å2: 37.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3: 127.0
Sum Formula: C6H10D4O2Si
M / g/mol: 150.0
Complexity: 104.0
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 3-trimethylsilylpropionic -2,2,3,3-d4-acid
  • Preferred Abbreviation: TMSP-d4
  • IUPAC Name: 3-trimethylsilylpropionic -2,2,3,3-d4-acid
  • CAS: 24493-21-8 (sodium salt)
  • CID: -51
  • InChiKey: NONFLFDSOSZQHR-CQOLUAMGSA-N
  • InChi: InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)/i4D2,5D2
  • CanoSmiles: C[Si](C)(C)CCC(=O)O
  • IsoSmiles: C[Si](C)(C)C(2H)(2H)C(2H)(2H)C(=O)O