1. Primary Information
| English name: | Calvatic acid |
| CAS No.: | 54723-08-9 |
| Molecular formula: | C8H5N3O3 |
| Molecular weight: | 191.14 g/mol |
| SMILES: | C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-] |
| Structural class: | |
| Other identifiers: |
calvatic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | - | 2960 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4-carboxyphenyl)-cyanoimino-oxidoazanium
4.2 InChI
InChI=1S/C8H5N3O3/c9-5-10-11(14)7-3-1-6(2-4-7)8(12)13/h1-4H,(H,12,13)
4.3 InChIKey
LDRFVNKBORCKQS-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-]
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
