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Compound: 5546
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References: 992
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Benzaldehyde,2-hydroxy-6-methyl
ScientificNameLabel
Benzaldehyde,2-hydroxy-6-methyl
PHCD compound ID :
5465
Chemical Names :
Benzaldehyde,2-hydroxy-6-methyl
Molecular Formula :
C8H8O2
Molecular Weight :
136.052429
More Details :
Names & Synonyms:
2-hydroxy-6-methyl-benzaldehyde , 2-hydroxy-6-methylbenzaldehyde , 2-methyl-6-oxidanyl-benzaldehyde
Smiles:
O=Cc1c(C)cccc1O
InChi :
InChI=1S/C8H8O2/c1-6-3-2-4-8(10)7(6)5-9/h2-5,10H,1H3
InChi Key :
InChIKey=ZRUOTKQBVMWMDK-UHFFFAOYSA-N
PubChem ID :
585174
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.521826
Hydrogen bond donor count :
1
Electric dipole moment :
3.799
XLogP :
1.381
VDW volume :
130.702496
Molecular weight :
136.052429
HOMO-LUMO gap :
8.943000
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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