| Properties | Image |
| MNX_ID | MNXM1132413 |
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| reference | metacycM:CPD-23544 |
| formula | C12H16O3 |
| global charge | 0 |
| mol weight | 208.257 |
| InChIKey | QPUQXEFKXYZUAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3 |
| SMILES | CCOC(O)C(=O)CCC1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3/t12? |
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| SMILES (mnx) | [CH3:1][CH2:2][O:15][CH:12]([C:11]([CH2:9][CH2:8][C:10]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)=[O:13])[OH:14] |
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