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Compound: 5546
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References: 992
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Dodecyl acrylate
ScientificNameLabel
Dodecyl acrylate
PHCD compound ID :
5108
Chemical Names :
Dodecyl acrylate
Molecular Formula :
C15H28O2
Molecular Weight :
240.20893
More Details :
Names & Synonyms:
dodecyl prop-2-enoate , 2-propenoic acid dodecyl ester , acrylic acid lauryl ester
Smiles:
CCCCCCCCCCCCOC(=O)C=C
InChi :
InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3
InChi Key :
InChIKey=PBOSTUDLECTMNL-UHFFFAOYSA-N
PubChem ID :
75084
Rotatable bond count :
13
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.768510
Hydrogen bond donor count :
0
Electric dipole moment :
1.675
XLogP :
6.435
VDW volume :
280.303764
Molecular weight :
240.20893
HOMO-LUMO gap :
10.551000
Herb list :
Wild celery, Celery - Apium graveolens - کرفس، کرفس وحشی
Refrences & Litretures:
806. Journal:'Immunopharmacology and Immunotoxicology' Year:'2012' Volume:'34' Page:'205' DOI:'10.3109/08923973.2011.592534' Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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