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ScientificNameLabel
Oxydisuccinic acid
PHCD compound ID : 3181
Chemical Names :
Oxydisuccinic acid
Molecular Formula : C8H10O9
Molecular Weight : 250.032482
More Details :
Names & Synonyms: 2-(1,2-dicarboxyethoxy)butanedioic acid , 2-[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]oxybutanedioic acid , 2-(1,2-dicarboxyethoxy)succinic acid
Smiles: OC(=O)[C@H](CC(=O)O)O[C@@H](C(=O)O)CC(=O)O
InChi : InChI=1S/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t3-,4+
InChi Key : InChIKey=CFPOJWPDQWJEMO-ZXZARUISSA-N
PubChem ID : 23887
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 10.947535
Hydrogen bond donor count : 4 Electric dipole moment : 4.170
XLogP : -1.93 VDW volume : 215.490541
Molecular weight : 250.032482 HOMO-LUMO gap : 10.960000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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