| Properties | Image |
MNX_ID | MNXM166185 |
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reference | sabiorkM:23118 |
formula | C6H12O2 |
global charge | 0 |
mol weight | 116.16 |
InChIKey | UHSBCAJZDUQTHH-UHFFFAOYSA-N |
InChI | InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h6,8H,3-4H2,1-2H3 |
SMILES | CCCC(O)C(C)=O |
MNX internals
InChI (mnx) | InChI=1/C6H12O2/c1-3-4-6(8)5(2)7/h6,8H,3-4H2,1-2H3/t6? |
 |
SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH:6]([C:5]([CH3:2])=[O:7])[OH:8] |
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