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Benzene, 2-methoxy-1,3,4-trimethyl
ScientificNameLabel
Benzene, 2-methoxy-1,3,4-trimethyl
PHCD compound ID :
4413
Chemical Names :
Benzene, 2-methoxy-1,3,4-trimethyl
Molecular Formula :
C10H14O1
Molecular Weight :
150.104465
More Details :
Names & Synonyms:
2-methoxy-1,3,4-trimethyl-benzene , 2-methoxy-1,3,4-trimethylbenzene
Smiles:
COc1c(C)ccc(c1C)C
InChi :
InChI=1S/C10H14O/c1-7-5-6-8(2)10(11-4)9(7)3/h5-6H,1-4H3
InChi Key :
InChIKey=MIOQAXCZXWHELT-UHFFFAOYSA-N
PubChem ID :
591604
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.993736
Hydrogen bond donor count :
0
Electric dipole moment :
1.618
XLogP :
2.021
VDW volume :
159.140697
Molecular weight :
150.104465
HOMO-LUMO gap :
9.387000
Herb list :
Pomegranate - Punica granatum - گلنار، انار
Refrences & Litretures:
656. Journal:'Int. J. LifeSc. Bt & Pharm. Res' Year:'2012' Volume:'1' Page:'164' DOI:'' Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
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