| Properties | Image |
| MNX_ID | MNXM1364324 |
 |
| reference | seedM:cpd04393 |
| formula | C8H9O4 |
| global charge | -1 |
| mol weight | 169.156 |
| InChIKey | JPSUYBCVYCYJEB-UHFFFAOYSA-M |
| InChI | InChI=1S/C8H10O4/c1-2-6(9)4-3-5-7(10)8(11)12/h3,5H,2,4H2,1H3,(H,11,12)/p-1 |
| SMILES | CCC(=O)CC=CC(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C8H10O4/c1-2-6(9)4-3-5-7(10)8(11)12/h3,5H,2,4H2,1H3,(H,11,12)/b5-3? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C:6]([CH2:4][CH:3]=[CH:5][C:7]([C:8]([OH:11])=[O:12])=[O:10])=[O:9] |
|