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3H-Benz[e]indene,2-methyl
ScientificNameLabel
3H-Benz[e]indene,2-methyl
PHCD compound ID :
5128
Chemical Names :
3H-Benz[e]indene,2-methyl
Molecular Formula :
C14H12
Molecular Weight :
180.0939
More Details :
Names & Synonyms:
2-methyl-3H-cyclopenta[a]naphthalene , 2-methyl-3
H
-cyclopenta[a]naphthalene , 2-methyl-3H-benz[e]indene
Smiles:
CC1=Cc2c(C1)ccc1c2cccc1
InChi :
InChI=1S/C14H12/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10/h2-7,9H,8H2,1H3
InChi Key :
InChIKey=BPGQLRATYHGTEK-UHFFFAOYSA-N
PubChem ID :
602025
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
8.332777
Hydrogen bond donor count :
0
Electric dipole moment :
1.669
XLogP :
4.127
VDW volume :
176.012115
Molecular weight :
180.0939
HOMO-LUMO gap :
7.773000
Herb list :
Tea - Camellia sinensis - چای
Refrences & Litretures:
813. Journal:'J Biomedical Sci' Year:'2018' Volume:'7' Page:'1' DOI:'10.4172/2254-609X.100089' Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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