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Phthalic anhydride
ScientificNameLabel
Phthalic anhydride
PHCD compound ID :
5245
Chemical Names :
Phthalic anhydride
Molecular Formula :
C8H4O3
Molecular Weight :
148.016044
More Details :
Names & Synonyms:
isobenzofuran-1,3-dione , 2-benzofuran-1,3-dione , phthalic anhydride
Smiles:
O=C1OC(=O)c2c1cccc2
InChi :
InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChi Key :
InChIKey=LGRFSURHDFAFJT-UHFFFAOYSA-N
PubChem ID :
6811
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
11.026479
Hydrogen bond donor count :
0
Electric dipole moment :
6.048
XLogP :
0.575
VDW volume :
124.499805
Molecular weight :
148.016044
HOMO-LUMO gap :
9.346000
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'
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