42038-75-5
| Name | METHYL (S)-(-)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE |
| CAS | 42038-75-5 |
| Molecular Formula | C13H20O4 |
| MDL Number | MFCD00799562 |
| Molecular Weight | 240.3 |
| MOL File | 42038-75-5.mol |
Chemical Properties
| Melting point | 59-62 °C(lit.) |
| alpha | -10.4 º (C=1 IN CHLOROFORM) |
| Boiling point | 378.4±42.0 °C(Predicted) |
| density | 1.125±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 12.95±0.40(Predicted) |
| Optical Rotation | [α]20/D 10.4°, c = 1 in chloroform |
| InChI | 1S/C13H20O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8,11,14H,2-7,9H2,1H3/t11-/m1/s1 |
| InChIKey | PQKUWAVOSCVDCT-LLVKDONJSA-N |
| SMILES | COC(=O)CCCCCCC1=C[C@@H](O)CC1=O |