Dimethyl phthalate

ScientificNameLabel

Dimethyl phthalate
PHCD compound ID :	5338
Chemical Names :	Dimethyl phthalate
Molecular Formula :	C10H10O4
Molecular Weight :	194.057909

More Details :

Names & Synonyms:	dimethyl benzene-1,2-dicarboxylate , benzene-1,2-dicarboxylic acid dimethyl ester
Smiles:	COC(=O)c1ccccc1C(=O)OC
InChi :	InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChi Key :	InChIKey=NIQCNGHVCWTJSM-UHFFFAOYSA-N
PubChem ID :	8554

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	4	Ionization potential :	10.424357
Hydrogen bond donor count :	0	Electric dipole moment :	3.375
XLogP :	0.946	VDW volume :	180.23846
Molecular weight :	194.057909	HOMO-LUMO gap :	9.548000

Herb list :

Real tobacco - Nicotiana rustica - توتون

Refrences & Litretures:


870. Journal:'International Journal of Food Studies' Year:'2020' Volume:'9' Page:'146' DOI:'10.7455/ijfs/9.1.2020.a2' Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'

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