6-Methoxypyridazine-4-carboxylic acid
Product Specifications
- CAS
- 1427202-39-8
- Molecular Formula
- C6H6N2O3
- Appearance
- yellow to off-white solid
- Synonym(s)
- 4-Pyridazinecarboxylic acid, 6-methoxy-
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- COC1=NN=CC(=C1)C(=O)O
- InChI
- InChI=1S/C6H6N2O3/c1-11-5-2-4(6(9)10)3-7-8-5/h2-3H,1H3,(H,9,10)
Product Information
6-Methoxypyridazine-4-carboxylic acid corresponds to CAS 1427202-39-8 and PubChem CID 73357704. The verified molecular formula is C6H6N2O3. PubChem returns the same SMILES recorded for this page, COC1=NN=CC(=C1)C(=O)O, along with InChIKey ACWLCPFWPSECST-UHFFFAOYSA-N. Agreement among the CAS result, formula, and machine-readable structure closes the identity around one compound rather than a family-level pyridazine label.
The six-membered aromatic ring contains adjacent nitrogen atoms at positions 1 and 2. A methoxy group is bonded at position 6, contributing one oxygen and its methyl carbon, while a carboxylic acid group is fixed at position 4 and contributes two further oxygen atoms. Those assignments account for all six carbons and three oxygens in C6H6N2O3. The SMILES contains a single connected component and no stereochemical token, which is consistent with the graph represented by the full InChI.
For exact matching, keep the methoxy and carboxylic-acid locants attached to the pyridazine name and cite CAS 1427202-39-8. A MOL or SDF submission may also carry CID 73357704 or InChIKey ACWLCPFWPSECST-UHFFFAOYSA-N. These identifiers preserve which ring carbon bears each oxygen-containing substituent, preventing a positional isomer from being treated as the same entry. Rlavie can compare those fields with the supplied drawing during an identity-focused enquiry. The description is deliberately confined to nomenclature, elemental composition, and confirmed connectivity.