9PY
(2R)-2-METHYL-3-DEHYDROQUINIC ACID
Find entries where: 9PY
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | (2R)-2-METHYL-3-DEHYDROQUINIC ACID |
| Identifiers | (1R,2R,4S,5R)-2-methyl-1,4,5-tris(oxidanyl)-3-oxidanylidene-cyclohexane-1-carboxylic acid |
| Formula | C8 H12 O6 |
| Molecular Weight | 204.177 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O |
| InChI | InChI=1S/C8H12O6/c1-3-5(10)6(11)4(9)2-8(3,14)7(12)13/h3-4,6,9,11,14H,2H2,1H3,(H,12,13)/t3-,4+,6-,8+/m0/s1 |
| InChIKey | YHBCRPWBCJOXAZ-MIZGGHSWSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 26 |
| Chiral Atom Count | 4 |
| Bond Count | 26 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 78350429 |
