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3-Nonenol
ScientificNameLabel
3-Nonenol
PHCD compound ID :
840
Chemical Names :
3-Nonenol
Molecular Formula :
C9H18O1
Molecular Weight :
142.135765
More Details :
Names & Synonyms:
non-3-en-1-ol , 3-nonen-1-ol
Smiles:
CCCCC/C=C\CCO
InChi :
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6+
InChi Key :
InChIKey=IFTBJDZSLBRRMC-VOTSOKGWSA-N
PubChem ID :
66310
Rotatable bond count :
6
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.840673
Hydrogen bond donor count :
1
Electric dipole moment :
1.901
XLogP :
3.18
VDW volume :
170.374088
Molecular weight :
142.135765
HOMO-LUMO gap :
10.761000
Herb list :
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Refrences & Litretures:
65. Journal:'Middle-East J. Sci. Res' Year:'2014' Volume:'21' Page:'1670' DOI:'' Title:'Chemical Composition, Antioxidant and Antitumor Activity of Thymus vulgaris L. Essential Oil'
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