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: 35
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
1,3-Dioxolane
ScientificNameLabel
1,3-Dioxolane
PHCD compound ID :
4773
Chemical Names :
1,3-Dioxolane
Molecular Formula :
C3H6O2
Molecular Weight :
74.036779
More Details :
Names & Synonyms:
1,3-dioxolane
Smiles:
C1OCCO1
InChi :
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
InChi Key :
InChIKey=WNXJIVFYUVYPPR-UHFFFAOYSA-N
PubChem ID :
12586
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.987036
Hydrogen bond donor count :
0
Electric dipole moment :
1.405
XLogP :
-0.243
VDW volume :
65.668407
Molecular weight :
74.036779
HOMO-LUMO gap :
11.751000
Herb list :
True lavender - Lavandula officinalis - اسطوخودوس
Refrences & Litretures:
760. Journal:'International Journal of ChemTech Research' Year:'2014' Volume:'6' Page:'4918' DOI:'' Title:'Chemical composition and fungitoxic activities of Lavandula officinalis L. oil and comparison with synthetic fungicide on the growth some fungi in vitro'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us