| Properties | Image |
MNX_ID | MNXM164380 |
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reference | sabiorkM:27250 |
formula | C10H14O3 |
global charge | 0 |
mol weight | 182.219 |
InChIKey | PSYOCQSPCVZCHY-VDAHYXPESA-N |
InChI | InChI=1S/C10H14O3/c1-10(2,3)5-4-6(11)8-9(13-8)7(5)12/h4,6,8-9,11H,1-3H3/t6-,8-,9+/m1/s1 |
SMILES | CC(C)(C)C1=C[C@@H](O)[C@H]2O[C@H]2C1=O |
MNX internals
InChI (mnx) | InChI=1/C10H14O3/c1-10(2,3)5-4-6(11)8-9(13-8)7(5)12/h4,6,8-9,11H,1-3H3/t6-,8-,9+/m1/s1 |
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SMILES (mnx) | [CH3:1][C:10]([CH3:2])([CH3:3])[C:5]1=[CH:4][C@@H:6]([OH:11])[C@@H:8]2[C@H:9]([C:7]1=[O:12])[O:13]2 |
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