1. Primary Information
| English name: | CID 6441315 |
| CAS No.: | 9050-06-0 |
| Molecular formula: | C11H12O3 |
| Molecular weight: | 192.21 g/mol |
| SMILES: | C=CO.C1=CC=C(C=C1)C=CC(=O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | average Mn 40,000 | 800 | RT | in stock | - |
| Kehua Intelligence | 5g | average Mn 40,000 | 2800 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethenol;(E)-3-phenylprop-2-enoic acid
4.2 InChI
InChI=1S/C9H8O2.C2H4O/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-3/h1-7H,(H,10,11);2-3H,1H2/b7-6+;
4.3 InChIKey
HCCVHWNULIPQNY-UHDJGPCESA-N
4.4 Canonical SMILES
C=CO.C1=CC=C(C=C1)C=CC(=O)O
4.5 Isomeric SMILES
C=CO.C1=CC=C(C=C1)/C=C/C(=O)O
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
-- No 3D model data available --
