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102696-70-8,MFCD00209366
Catalog No.:AA00082L
102696-70-8 | 2-Propenoic acid, 3-(3-methyl-2-thienyl)-, (2E)-
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Technical Information
Catalog Number:
AA00082L
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
Computed Properties
 
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3-(3-methyl-2-thienyl)acrylic acid 
CP 20107 
(2E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid 
3-(3-methylthiophen-2-yl)prop-2-enoic acid 
AUFDGOVNVKDTEB-NSCUHMNNSA-N 
85623DMP6I 
3-(3-Methylthiophen-2-yl)acrylic acid 
(E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid 
CP 20107 
methylthienylacrylicacid 
CP-20,107 
AC1LSBA9 
CP-20,107 
AC1Q2GHS 
MLS001002546 
SCHEMBL5283644 
CHEMBL1651770 
HMS1367A05 
HMS2723M04 
ALBB-007473 
ZINC1399131 
2184AC 
STK504555 
77741-66-3 
AKOS000263508 
RP10435 
NCGC00246104-01 
AC-12830 
AJ-25638 
SMR000369069 
TR-024810 
R2607 
Z2093 
2-Propenoic acid, 3-(3-methyl-2-thienyl)- 
3-(3-Methyl-2-thienyl)acrylic acid 
(E)-3-(3-methyl-2-thienyl)-2-propenoic acid 
(E)-3-(3-Methyl-thien-2-yl)-2-propenoic acid 
7R-0651 
(2E)-3-(3-Methyl-2-thienyl)-2-propenoic acid # 
J-501892 
F9995-2610 
3- ACRYLICACID 
C8H8O2S 
ACN-042088 
CID1485238 
3-(3-Methyl-2-thienyl)-2-propenoic acid 
2-Propenoic acid, 3-(3-methyl-2-thienyl)-, (2E)- 
3-(3-Methyl-2-thienyl)acrylic acid, 97% - 1G 1g 
(E)-3-(3-methylthiophen-2-yl)acrylic acid 
UNII-85623DMP6I 
102696-70-8 
(2E)-3-(3-methyl-2-thienyl)acrylic acid 
Literature

Title: Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities.

Journal: European journal of medicinal chemistry 20110101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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