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Compound: 5546
Plants: 312
References: 992
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Benzofuran-2-carboxaldehyde
ScientificNameLabel
Benzofuran-2-carboxaldehyde
PHCD compound ID :
5464
Chemical Names :
Benzofuran-2-carboxaldehyde
Molecular Formula :
C9H6O2
Molecular Weight :
146.036779
More Details :
Names & Synonyms:
benzofuran-2-carbaldehyde , 2-benzofurancarboxaldehyde , 1-benzofuran-2-carbaldehyde , coumarilaldehyde
Smiles:
O=Cc1cc2c(o1)cccc2
InChi :
InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChi Key :
InChIKey=ADDZHRRCUWNSCS-UHFFFAOYSA-N
PubChem ID :
61341
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.528289
Hydrogen bond donor count :
0
Electric dipole moment :
2.883
XLogP :
1.022
VDW volume :
122.105563
Molecular weight :
146.036779
HOMO-LUMO gap :
8.450000
Herb list :
- Anacyclus pyrethrum - عاقرقرحا
Refrences & Litretures:
911. Journal:'Indian Journal of Pharmaceutical Education and Research' Year:'2017' Volume:'51' Page:'S244' DOI:'10.5530/ijper.51.3s.22' Title:'Antimicrobial Activity and Chemical Composition Screening of Anacyclus pyrethrum Root'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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