3H-Pyrazol-3-one,2,4-dihydro-2,4,5-trimethyl

ScientificNameLabel

3H-Pyrazol-3-one,2,4-dihydro-2,4,5-trimethyl
PHCD compound ID :	5235
Chemical Names :	3H-Pyrazol-3-one,2,4-dihydro-2,4,5-trimethyl
Molecular Formula :	C6H10N2O1
Molecular Weight :	126.079313

More Details :

Names & Synonyms:	2,4,5-trimethyl-4H-pyrazol-3-one , 2,4,5-trimethyl-4H-pyrazol-3-one , 2,4,5-trimethyl-2-pyrazolin-3-one
Smiles:	CC1=NN(C(=O)[C@H]1C)C
InChi :	InChI=1S/C6H10N2O/c1-4-5(2)7-8(3)6(4)9/h4H,1-3H3/t4-/m0/s1
InChi Key :	InChIKey=CACWZFVIOGIBFP-BYPYZUCNSA-N
PubChem ID :	580964

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.149169
Hydrogen bond donor count :	0	Electric dipole moment :	2.879
XLogP :	0.133	VDW volume :	125.486737
Molecular weight :	126.079313	HOMO-LUMO gap :	9.349000

Herb list :

Bermuda grass - Cynodon dactylon - مرغ

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'

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