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Pyruvic acid
ScientificNameLabel
Pyruvic acid
PHCD compound ID :
5238
Chemical Names :
Propanoic acid,2-oxo , Pyruvic acid
Molecular Formula :
C3H4O3
Molecular Weight :
88.016044
More Details :
Names & Synonyms:
2-oxopropanoic acid , 2-oxidanylidenepropanoic acid , pyruvic acid
Smiles:
OC(=O)C(=O)C
InChi :
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChi Key :
InChIKey=LCTONWCANYUPML-UHFFFAOYSA-N
PubChem ID :
1060
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
10.614374
Hydrogen bond donor count :
1
Electric dipole moment :
1.320
XLogP :
-0.426
VDW volume :
81.542175
Molecular weight :
88.016044
HOMO-LUMO gap :
9.933000
Herb list :
Bermuda grass - Cynodon dactylon - مرغ
Carob - Ceratonia siliqua - خرنوب
Refrences & Litretures:
836. Journal:'International Journal of ChemTech Research' Year:'2010' Volume:'2' Page:'149' DOI:'' Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
901. Journal:'Journal of Advanced Research' Year:'2017' Volume:'8' Page:'379' DOI:'10.1016/j.jare.2017.05.002' Title:'Volatiles pro?ling in Ceratonia siliqua (Carob bean) from Egypt and in response to roasting as analyzed via solid-phase microextraction coupled to chemometrics'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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