Basic information
- CAS
1260666-67-8- Standard SMILES
COC(=O)c1ccc(C=O)c(=O)[nH]1- InChIKey
XZJLYFRZKPSRKS-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Names & identifiers
- Preferred name
- Methyl 5-formyl-6-hydroxypyridine-2-carboxylate
- IUPAC
- methyl 5-formyl-6-oxo-1H-pyridine-2-carboxylate
Names & synonyms
1260666-67-8METHYL 5-FORMYL-6-HYDROXYPYRIDINE-2-CARBOXYLATERefChem:817086890-567-8Methyl 5-formyl-6-hydroxypicolinatemethyl5-formyl-6-hydroxypyridine-2-carboxylateSCHEMBL23724874AB73633DB-417508EN300-8118661Methyl 5-formyl-1,6-dihydro-6-oxo-2-pyridinecarboxylateZ1255363686
Database identifiers
- CAS
1260666-67-8- PubChem CID
- 72213541
- EC Number
- 890-567-8
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 327
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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