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5,7-dimethoxy-1-naphthol
ScientificNameLabel
5,7-dimethoxy-1-naphthol
PHCD compound ID :
5428
Chemical Names :
5,7-dimethoxy-1-naphthol
Molecular Formula :
C12H12O3
Molecular Weight :
204.078644
More Details :
Names & Synonyms:
5,7-dimethoxynaphthalen-1-ol , 5,7-dimethoxy-1-naphthalenol , 5,7-dimethoxy-1-naphthol
Smiles:
COc1cc(OC)cc2c1cccc2O
InChi :
InChI=1S/C12H12O3/c1-14-8-6-10-9(12(7-8)15-2)4-3-5-11(10)13/h3-7,13H,1-2H3
InChi Key :
InChIKey=IBUVQIDQHISWIU-UHFFFAOYSA-N
PubChem ID :
15073674
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
8.241367
Hydrogen bond donor count :
1
Electric dipole moment :
1.960
XLogP :
1.513
VDW volume :
182.783743
Molecular weight :
204.078644
HOMO-LUMO gap :
7.724000
Herb list :
- Salvia hydrangea DC. Ex Benth - مریم گلی تماشائی، عقربان، گل ارونه
Refrences & Litretures:
897. Journal:'Journal of Medicinal Plants and By-products' Year:'2016' Volume:'2' Page:'159' DOI:'' Title:'Essential Oils of Salvia hydrangea DC. ex Benth. from Kiasar-Hezarjarib regions, Iran-Impact of eEnvironmental Factors as Quality Determinants'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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