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Dec-2-enoic acid
ScientificNameLabel
Dec-2-enoic acid
PHCD compound ID :
2242
Chemical Names :
Dec-2-enoic acid
Molecular Formula :
C10H18O2
Molecular Weight :
170.13068
More Details :
Names & Synonyms:
dec-2-enoic acid , 2-decenoic acid
Smiles:
CCCCCCC/C=C/C(=O)O
InChi :
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
InChi Key :
InChIKey=WXBXVVIUZANZAU-CMDGGOBGSA-N
PubChem ID :
94282
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
10.672937
Hydrogen bond donor count :
1
Electric dipole moment :
2.556
XLogP :
4.045
VDW volume :
193.823841
Molecular weight :
170.13068
HOMO-LUMO gap :
10.437000
Herb list :
Strawberry - Fragaria vesca - توت فرنگی
Refrences & Litretures:
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
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