Molecule ID: 23666333

IUPAC Name: sodium;3-trimethylsilylpropanoate

Description: The molecule is an organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). It contains a 3-(trimethylsilyl)propionate.

SMILES: C[Si](C)(C)CCC(=O)[O-].[Na+]

SELFIES: [C][Si][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O-1].[Na+1]

InChI: InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: nan