Beta-(3-Thienyl)acrylic acid

ScientificNameLabel

Beta-(3-Thienyl)acrylic acid
PHCD compound ID :	1920
Chemical Names :	Beta-(3-Thienyl)acrylic acid
Molecular Formula :	C7H6O2S1
Molecular Weight :	154.00885

More Details :

Names & Synonyms:	(E)-3-(3-thienyl)prop-2-enoic acid , (E)-3-(3-thiophenyl)-2-propenoic acid , (E)-3-thiophen-3-ylprop-2-enoic acid , (E)-3-(3-thienyl)acrylic acid
Smiles:	OC(=O)/C=C/c1cscc1
InChi :	InChI=1S/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+
InChi Key :	InChIKey=VYRYYUKILKRGDN-OWOJBTEDSA-N
PubChem ID :	735793

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.213708
Hydrogen bond donor count :	1	Electric dipole moment :	2.428
XLogP :	1.264	VDW volume :	131.915535
Molecular weight :	154.00885	HOMO-LUMO gap :	8.026000

Herb list :

Penny royal, Flea mint - Mentha pulegium - پونه معطر، خال واش، کوت کوتی

Refrences & Litretures:


224. Journal:'Industrial Crops and Products' Year:'2012' Volume:'36' Page:'81' DOI:'10.1016/j.indcrop.2011.08.011' Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'

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