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| Name |
Pirenoxine |
EINECS | 213-872-4 |
| CAS No. | 1043-21-6 | Density | 1.7 g/cm3 |
| PSA | 113.52000 | LogP | 2.24480 |
| Solubility | N/A | Melting Point |
247-248 °C |
| Formula | C16H8N2O5 | Boiling Point | 515.8 °C at 760 mmHg |
| Molecular Weight | 308.25 | Flash Point | 265.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Hydroxy-3-carboxy-5H-pyrido[3,2-a]phenoxazin-5-one;1-Hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid;1-Hydroxy-5H-pyrido[3,2-a]phenoxazin-5-one-3-carboxylic acid;Catalin;Catalin(pharmaceutical);Catalin K;Clarvisan;HPPC;Kary-Uni;Pirfenoxone;Pyrphenoxone; |
Pirenoxine Chemical Properties
IUPAC Name: 1,5-Dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
Synonyms of Pirenoxine (CAS NO.1043-21-6): 5H-Pyrido[3,2-a]phenoxazine-3-carboxylicacid, 1-hydroxy-5-oxo- ; 1-Hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid ; 1,5-dioxo-1,5-dihydro-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid ; Pirenoxina ; Pirenoxinum
CAS NO: 1043-21-6
Molecular Formula: C16H8N2O5
Molecular Weight: 308.25
Molecular Structure: 
EINECS: 213-872-4
H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 85.27 Å2
Index of Refraction: 1.793
Molar Refractivity: 76.99 cm3
Molar Volume: 181.1 cm3
Surface Tension: 75.6 dyne/cm
Density: 1.7 g/cm3
Flash Point: 265.7 °C
Enthalpy of Vaporization: 82.93 kJ/mol
Boiling Point: 515.8 °C at 760 mmHg
Vapour Pressure: 1.83E-11 mmHg at 25°C
Melting Point: 247-248°C
SMILES: O=C\3C=2\C1=N\c4c(O/C1=C/C(=O)C=2NC(/C(=O)O)=C/3)cccc4
InChI: InChI=1/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)
InChIKey: OKPNYGAWTYOBFZ-UHFFFAOYAP
Std. InChI: InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)
Std. InChIKey: OKPNYGAWTYOBFZ-UHFFFAOYSA-N
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