N-formylkynurenine
2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
CAS: 1022-31-7
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.22 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 109.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 1022-31-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NC=O |
| InChIKey | BYHJHXPTQMMKCA-UHFFFAOYSA-N |
📖 Product Overview
N-formylkynurenine (CAS: 1022-31-7) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.22 g/mol. Its IUPAC systematic name is 2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid.
BYHJHXPTQMMKCA-UHFFFAOYSA-N.
SMILES: C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NC=O.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions
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📚 Academic Support
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