Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
4-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid
Also Known As: 4-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid|Benzoic acid, 4-[(2,3-dihydro-2-oxo-4-pyrimidinyl)amino]-|4-[(2-Oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoic acid|4-[(2-Oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoic acid #|Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-
CAS: 91093-56-0
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06439 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06439 |
| Monoisotopic Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 91093-56-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC2=CC=NC(=O)N2 |
| InChIKey | HAWKRBCTLSYJEC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- (CAS 91093-56-0), with molecular formula C11H9N3O3 and molecular weight 231.06439 g/mol. IUPAC: 4-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid.
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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Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- is a custom synthesis product. We offer services from milligram to kilogram scale.
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