81925-04-4
| Name | (-)-ISOBORNEOLACETIC ACID |
| CAS | 81925-04-4 |
| Molecular Formula | C12H20O3 |
| MDL Number | MFCD00238759 |
| Molecular Weight | 212.29 |
| MOL File | 81925-04-4.mol |
Chemical Properties
| Melting point | 107-111 °C(lit.) |
| Boiling point | 340.0±15.0 °C(Predicted) |
| density | 1.131±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 4.72±0.10(Predicted) |
| Optical Rotation | [α]20/D 18°, c = 1 in chloroform |
| InChI | 1S/C12H20O3/c1-11(2)8-4-5-12(11,3)10(15)7(8)6-9(13)14/h7-8,10,15H,4-6H2,1-3H3,(H,13,14)/t7-,8+,10+,12-/m0/s1 |
| InChIKey | LWVQRKXAZCLJPX-PUJIEXKFSA-N |
| SMILES | CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@H]2CC(O)=O |