Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: 2-Methylpropionic-d7 acid
CAS No.: 223134-74-5
Molecular formula: C4H8O2
Molecular weight: 95.15 g/mol
SMILES: CC(C)C(=O)O
Structural class:
Other identifiers:

-

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 1mg - 5760 2-8°C in stock -

3. Structures

3.1 2D structure


3.2 3D structure


4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanoic acid


4.2 InChI

InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i1D3,2D3,3D


4.3 InChIKey

KQNPFQTWMSNSAP-YYWVXINBSA-N


4.4 Canonical SMILES

CC(C)C(=O)O


4.5 Isomeric SMILES

[2H]C([2H])([2H])C([2H])(C(=O)O)C([2H])([2H])[2H]

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon