CAS 102696-70-8 | 2-Propenoic acid, 3-(3-methyl-2-thienyl)-, (2E)- | CAS Number 102696-70-8

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102696-70-8 | 2-Propenoic acid, 3-(3-methyl-2-thienyl)-, (2E)-

CAS No: 102696-70-8 Catalog No: AG00085D MDL No:MFCD00209366

Product Description

Catalog Number:

AG00085D

Chemical Name:

2-Propenoic acid, 3-(3-methyl-2-thienyl)-, (2E)-

CAS Number:

102696-70-8

Molecular Formula:

C8H8O2S

Molecular Weight:

168.2129

MDL Number:

MFCD00209366

IUPAC Name:

(E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid

InChI:

InChI=1S/C8H8O2S/c1-6-4-5-11-7(6)2-3-8(9)10/h2-5H,1H3,(H,9,10)/b3-2+

InChI Key:

AUFDGOVNVKDTEB-NSCUHMNNSA-N

SMILES:

OC(=O)/C=C/c1sccc1C

UNII:

85623DMP6I

Properties

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.21g/mol

Monoisotopic Mass:

168.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities.	European journal of medicinal chemistry 20110101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501