Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 42
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Norbornanol
ScientificNameLabel
Norbornanol
PHCD compound ID :
1261
Chemical Names :
Norbornanol , Bicyclo [2.2.1] heptan-2-ol , Biocyclo[2.2.1]heptan-2-ol
Molecular Formula :
C7H12O1
Molecular Weight :
112.088815
More Details :
Names & Synonyms:
norbornan-2-ol , 3-bicyclo[2.2.1]heptanol , bicyclo[2.2.1]heptan-3-ol
Smiles:
O[C@H]1C[C@H]2C[C@@H]1CC2
InChi :
InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/m1/s1
InChi Key :
InChIKey=ZQTYQMYDIHMKQB-VQVTYTSYSA-N
PubChem ID :
79028
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
10.342188
Hydrogen bond donor count :
1
Electric dipole moment :
1.807
XLogP :
1.225
VDW volume :
113.70566
Molecular weight :
112.088815
HOMO-LUMO gap :
13.314000
Herb list :
Chaste tree , Vitex - Vitex agnus-castus - پنج انگشت، فلفل بری
Citron, Persian apple - Citrus medica - بالنگ، ترنج، بادرنگ
Horsemint, Brookmint - Mentha longifolia - پونه، پودنه
Refrences & Litretures:
131. Journal:'J. Sep. Sci' Year:'2009' Volume:'32' Page:'99' DOI:'10.1002/jssc.200800404' Title:'Essential oil composition of Citrusmedica L. Cv. Diamante (Diamante citron) determined after using different extractionmethods'
202. Journal:'Biotech Health Sci' Year:'2015' Volume:'2' Page:'e26797' DOI:'10.17795/bhs-26797' Title:'Biological Properties of Vitex agnus-castus Essential Oil (Phytochemical Component, Antioxidant and Antifungal Activity)'
220. Journal:'Journal of Medicinal Plants Research' Year:'2012' Volume:'6' Page:'4522' DOI:'10.5897/JMPR11.933' Title:'Essential oil content and composition of Mentha longifolia (L.) Hudson grown wild in Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us