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ScientificNameLabel
2-hydroxy-3,3-dimethyl-gamma-butyrolactone
PHCD compound ID : 675
Chemical Names :
2-hydroxy-3,3-dimethyl-gamma-butyrolactone
Molecular Formula : C6H10O3
Molecular Weight : 130.062994
More Details :
Names & Synonyms: 3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one , 3-hydroxy-4,4-dimethyl-2-oxolanone , 3-hydroxy-4,4-dimethyloxolan-2-one , 4,4-dimethyl-3-oxidanyl-oxolan-2-one
Smiles: O[C@@H]1C(=O)OCC1(C)C
InChi : InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1
InChi Key : InChIKey=SERHXTVXHNVDKA-SCSAIBSYSA-N
PubChem ID : 989
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.508772
Hydrogen bond donor count : 1 Electric dipole moment : 3.944
XLogP : 0.576 VDW volume : 123.710129
Molecular weight : 130.062994 HOMO-LUMO gap : 11.191000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
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