compound 0052904

Properties Image MNX_ID MNXM1192007 reference envipathM:...c5f8f41e72f5 formula C12H20O global charge 0 mol weight 180.291 InChIKey WNZDVRYGKRCIPT-UHFFFAOYSA-N InChI InChI=1S/C8H10.C4H10O/c1-3-7-5-2-6-8(7)4-1;1-2-3-4-5/h1,3-4,7H,2,5-6H2;5H,2-4H2,1H3 SMILES C1=CC2CCCC2=C1.CCCCO MNX internals InChI (mnx) InChI=1/C8H10.C4H10O/c1-3-7-5-2-6-8(7)4-1;1-2-3-4-5/h1,3-4,7H,2,5-6H2;5H,2-4H2,1H3/t7?; SMILES (mnx) [CH3:9][CH2:10][CH2:11][CH2:12][OH:13].[CH:1]1=[CH:3][CH:7]2[CH2:5][CH2:2][CH2:6][C:8]2=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0