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Propanal,2,3-dihydroxy-
ScientificNameLabel
Propanal,2,3-dihydroxy-
PHCD compound ID :
574
Chemical Names :
Propanal,2,3-dihydroxy-
Molecular Formula :
C3H6O3
Molecular Weight :
90.031694
More Details :
Names & Synonyms:
2,3-dihydroxypropanal , 2,3-bis(oxidanyl)propanal , 2,3-dihydroxypropionaldehyde
Smiles:
O[C@H](C=O)CO
InChi :
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1
InChi Key :
InChIKey=MNQZXJOMYWMBOU-GSVOUGTGSA-N
PubChem ID :
751
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
10.484096
Hydrogen bond donor count :
2
Electric dipole moment :
2.405
XLogP :
-1.309
VDW volume :
84.178634
Molecular weight :
90.031694
HOMO-LUMO gap :
10.649000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Refrences & Litretures:
34. Journal:'J Sci Food Agric' Year:'2014' Volume:'94' Page:'2179' DOI:'10.1002/jsfa.6533' Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
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