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14-Methyl pentadecanoic acid
ScientificNameLabel
14-Methyl pentadecanoic acid
PHCD compound ID :
2564
Chemical Names :
14-Methyl pentadecanoic acid
Molecular Formula :
C16H32O2
Molecular Weight :
256.24023
More Details :
Names & Synonyms:
14-methylpentadecanoic acid
Smiles:
CC(CCCCCCCCCCCCC(=O)O)C
InChi :
InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChi Key :
InChIKey=ZONJATNKKGGVSU-UHFFFAOYSA-N
PubChem ID :
36247
Rotatable bond count :
13
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.824192
Hydrogen bond donor count :
1
Electric dipole moment :
1.904
XLogP :
7.509
VDW volume :
300.236207
Molecular weight :
256.24023
HOMO-LUMO gap :
11.768000
Herb list :
Flixweed - Descurainia sophia - خاکشیر
Refrences & Litretures:
298. Journal:'Analytical Chemistry Letters' Year:'2012' Volume:'2' Page:'363' DOI:'10.1080/22297928.2012.10662621' Title:'Chemical Composition of Fatty Acid from Different Parts of Descurainia Sophia L. Growing Wild in North of Iran'
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