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: 46
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2,2'-methylenedi-furan
ScientificNameLabel
2,2'-methylenedi-furan
PHCD compound ID :
4613
Chemical Names :
2,2'-methylenedi-furan
Molecular Formula :
C9H8O2
Molecular Weight :
148.052429
More Details :
Names & Synonyms:
2-(2-furylmethyl)furan , 2-(2-furanylmethyl)furan , 2-(furan-2-ylmethyl)furan , 2-(2-furfuryl)furan
Smiles:
c1coc(c1)Cc1ccco1
InChi :
InChI=1S/C9H8O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2
InChi Key :
InChIKey=YHGNXEIQSHICNK-UHFFFAOYSA-N
PubChem ID :
70972
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.188500
Hydrogen bond donor count :
0
Electric dipole moment :
0.479
XLogP :
1.171
VDW volume :
124.742022
Molecular weight :
148.052429
HOMO-LUMO gap :
9.523000
Herb list :
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Refrences & Litretures:
715. Journal:'Z Naturforsch C' Year:'2005' Volume:'60' Page:'369' DOI:'' Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us