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: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2H-Pyran-2-one,5,6-dihydro
ScientificNameLabel
2H-Pyran-2-one,5,6-dihydro
PHCD compound ID :
5239
Chemical Names :
2H-Pyran-2-one,5,6-dihydro
Molecular Formula :
C5H6O2
Molecular Weight :
98.036779
More Details :
Names & Synonyms:
2,3-dihydropyran-6-one
Smiles:
O=C1OCCC=C1
InChi :
InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
InChi Key :
InChIKey=QBDAFARLDLCWAT-UHFFFAOYSA-N
PubChem ID :
520660
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
10.539790
Hydrogen bond donor count :
0
Electric dipole moment :
5.452
XLogP :
0.466
VDW volume :
94.987459
Molecular weight :
98.036779
HOMO-LUMO gap :
10.131000
Herb list :
Bermuda grass - Cynodon dactylon - مرغ
Refrences & Litretures:
836. Journal:'International Journal of ChemTech Research' Year:'2010' Volume:'2' Page:'149' DOI:'' Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us