compound 0284768

Properties Image MNX_ID MNXM1338851 reference envipathM:...ef6a68f26641 formula C8H12BrO4 global charge -1 mol weight 252.084 InChIKey SAMVURDNKZPFQJ-UHFFFAOYSA-M InChI InChI=1S/C8H13BrO4/c1-7(2)5(6(11)12)8(7,13)3-4(9)10/h4-5,10,13H,3H2,1-2H3,(H,11,12)/p-1 SMILES CC1(C)C(C(=O)[O-])C1(O)CC(O)Br MNX internals InChI (mnx) InChI=1/C8H13BrO4/c1-7(2)5(6(11)12)8(7,13)3-4(9)10/h4-5,10,13H,3H2,1-2H3,(H,11,12)/t4?,5?,8? SMILES (mnx) [CH3:1][C:7]1([CH3:2])[CH:5]([C:6](=[O:11])[OH:12])[C:8]1([CH2:3][CH:4]([Br:9])[OH:10])[OH:13]

Parent-child relations graph

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