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10-Nonadecenoic acid, methyl ester(10-Nonadecenoic acid)
ScientificNameLabel
10-Nonadecenoic acid, methyl ester(10-Nonadecenoic acid)
PHCD compound ID :
2575
Chemical Names :
10-Nonadecenoic acid, methyl ester(10-Nonadecenoic acid)
Molecular Formula :
C20H38O2
Molecular Weight :
310.28718
More Details :
Names & Synonyms:
methyl (E)-nonadec-10-enoate , (E)-10-nonadecenoic acid methyl ester , (E)-nonadec-10-enoic acid methyl ester
Smiles:
CCCCCCCC/C=C/CCCCCCCCC(=O)OC
InChi :
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h10-11H,3-9,12-19H2,1-2H3/b11-10+
InChi Key :
InChIKey=HHJGGWUNSRWUFJ-ZHACJKMWSA-N
PubChem ID :
5364486
Rotatable bond count :
17
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
9.607821
Hydrogen bond donor count :
0
Electric dipole moment :
1.745
XLogP :
9.082
VDW volume :
366.783687
Molecular weight :
310.28718
HOMO-LUMO gap :
10.767000
Herb list :
White mallow, Marsh-mallow - Althaea officinalis - ختمی
Refrences & Litretures:
299. Journal:'J. Med. Plants Res' Year:'2011' Volume:'5' Page:'6972' DOI:'' Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
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