trans-3-(3-Thienyl)acrylic acid - CAS 102696-71-9

Catalog:	BB000919
Product Name:	trans-3-(3-Thienyl)acrylic acid
CAS:	102696-71-9
Synonyms:	(E)-3-thiophen-3-ylprop-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-3-thiophen-3-ylprop-2-enoic acid
Description:	3-(3-Thienyl)acrylic Acid can be used as antitumor agents.
Molecular Weight:	154.19
Molecular Formula:	C7H6O2S
Canonical SMILES:	C1=CSC=C1C=CC(=O)O
InChI:	InChI=1S/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+
InChI Key:	VYRYYUKILKRGDN-OWOJBTEDSA-N
Boiling Point:	298.9 °C at 760 mmHg
Melting Point:	152-154 °C
Purity:	95 %
Density:	1.346 g/cm³
Appearance:	White to tan powder
MDL:	MFCD00014535
LogP:	1.84590

Publication Number	Title	Priority Date
WO-2021029395-A1	Compound, polymer, composition, composition for film formation, pattern forming method, method for forming insulating film, method for producing compound, iodine-containing vinyl polymer and method for producing acetylated derivative of same	20190809
CN-110437758-A	A kind of anti-highly basic high temperature resistant easy-stripping type PO base protective film pressure-sensitive adhesive formula and preparation method thereof	20190711
WO-2020252075-A1	Ligand-exchangeable janus nanoparticles and methods of making the same	20190614
EP-3725763-A1	Myocardial regeneration promoting compounds, preparation method thereof, pharmaceutical composition, and their use	20190417
US-2020317602-A1	Myocardial regeneration promoting compounds, preparation method thereof, pharmaceutical composition, and their use	20190408

PMID	Publication Date	Title	Journal
22065617	20111001	4,4'-Bipyridine-3-(thio-phen-3-yl)acrylic acid (1/2)	Acta crystallographica. Section E, Structure reports online
17655003	20070601	Electrochemical investigations of 3-(3-thienyl) acrylic acid protected nanoclusters and planar gold surfaces	Journal of nanoscience and nanotechnology
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[40106-16-9]
Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
[43028-63-3]
Ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	154.00885060
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.00885060
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6