| Properties | Image |
| MNX_ID | MNXM165242 |
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| reference | sabiorkM:20093 |
| formula | C9H12O2 |
| global charge | 0 |
| mol weight | 152.193 |
| InChIKey | KXJVWNBVRRZEHH-OLQVQODUSA-N |
| InChI | InChI=1S/C9H12O2/c1-9(2)5-3-4-6(9)8(11)7(5)10/h5-6H,3-4H2,1-2H3/t5-,6+ |
| SMILES | CC1(C)[C@@H]2CC[C@H]1C(=O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C9H12O2/c1-9(2)5-3-4-6(9)8(11)7(5)10/h5-6H,3-4H2,1-2H3/t5-,6+ |
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| SMILES (mnx) | [CH3:1][C:9]1([CH3:2])[C@H:5]2[CH2:3][CH2:4][C@@H:6]1[C:8](=[O:11])[C:7]2=[O:10] |
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