| Properties | Image |
MNX_ID | MNXM819784 |
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reference | sabiorkM:31236 |
formula | C9H11O4 |
global charge | -1 |
mol weight | 183.183 |
InChIKey | XUNCLPUITPERRV-GMWFMGJWSA-M |
InChI | InChI=1S/C9H12O4/c1-2-4-7(10)5-3-6-8(11)9(12)13/h3,5-6,11H,2,4H2,1H3,(H,12,13)/p-1/b5-3+,8-6- |
SMILES | CCCC(=O)/C=C/C=C(\[O-])C(=O)O |
MNX internals
InChI (mnx) | InChI=1/C9H12O4/c1-2-4-7(10)5-3-6-8(11)9(12)13/h3,5-6,11H,2,4H2,1H3,(H,12,13)/b5-3+,8-6- |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:4][C:7](/[CH:5]=[CH:3]/[CH:6]=[C:8](/[C:9](=[O:12])[OH:13])[OH:11])=[O:10] |
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