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References: 992
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Non-1-en-3-ol
ScientificNameLabel
Non-1-en-3-ol
PHCD compound ID :
619
Chemical Names :
Non-1-en-3-ol
Molecular Formula :
C9H18O1
Molecular Weight :
142.135765
More Details :
Names & Synonyms:
non-1-en-3-ol , 1-nonen-3-ol
Smiles:
CCCCCC[C@@H](C=C)O
InChi :
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3/t9-/m1/s1
InChi Key :
InChIKey=DWUPJMHAPOQKGJ-SECBINFHSA-N
PubChem ID :
89560
Rotatable bond count :
6
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
10.173538
Hydrogen bond donor count :
1
Electric dipole moment :
2.112
XLogP :
3.276
VDW volume :
170.374088
Molecular weight :
142.135765
HOMO-LUMO gap :
11.116000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Strawberry - Fragaria vesca - توت فرنگی
Refrences & Litretures:
36. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'316' DOI:'10.1080/0972060X.2010.10643827' Title:'Volatile Constituents of Leaves of Ficus carica Linn. Grown in Egypt'
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
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