| Melting point |
93°C |
| Boiling point |
644.4±55.0 °C(Predicted) |
| Density |
1.731±0.06 g/cm3(Predicted) |
| storage temp. |
-20°C |
| solubility |
H2O: 0.1 g/mL, clear, faintly yellow |
| pka |
2.69±0.70(Predicted) |
| form |
Liquid |
| color |
Clear colorless to light yellow |
| optical activity |
[α]20/D 102±3°, c = 1% in ethanol |
| Water Solubility |
Water : 250 mg/mL (793.07 mM; Need ultrasonic) |
| BRN |
1438576 |
| InChI |
InChI=1/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/s3 |
| InChIKey |
QSUILVWOWLUOEU-GOVZDWNOSA-N |
| SMILES |
[C@H]1(OC2C=CC([N+]([O-])=O)=CC=2)[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)O)O1)O |&1:0,11,13,14,16,r| |
| CAS DataBase Reference |
10344-94-2(CAS DataBase Reference) |
