4-{[(2-Amino-4-Oxo-1,4-Dihydropyrido[3,2-D]Pyrimidin-6-Yl)Methyl]Amino}Benzoic Acid
Properties
Property | Value |
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Formula | C15H13N5O3 |
IUPAC Name | 4-[(2-amino-4-oxo-1h-pyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoic acid |
Molecular Mass | 311.295 g·mol−1 |
Heat of Formation | -171.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.53 ± 1.08 D |
Volume | 345.9 Å 3 |
Surface Area | 324.88 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | -1.22 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | DUSPGKYQHUPIKA-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |