1. Primary Information
| English name: | alpha-Angelica lactone |
| CAS No.: | 591-12-8 |
| Molecular formula: | C5H6O2 |
| Molecular weight: | 98.10 g/mol |
| SMILES: | CC1=CCC(=O)O1 |
| Structural class: | |
| Other identifiers: |
alpha-angelicalactone angelica lactone angelica lactone, (alpha)-isomer angelica lactone, (beta)-isomer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | GC≥97% | 320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-methyl-3H-furan-2-one
4.2 InChI
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
4.3 InChIKey
QOTQFLOTGBBMEX-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CCC(=O)O1
4.5 Isomeric SMILES
-
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
