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102696-71-9,MFCD00014535
Catalog No.:AA00082K
102696-71-9 | 3-(3-Thienyl)acrylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$44.00   $31.00
- +
5g
95%
in stock  
$144.00   $101.00
- +
10g
95%
in stock  
$254.00   $178.00
- +
25g
95%
in stock  
$581.00   $407.00
- +
100g
95%
in stock  
$1,917.00   $1,342.00
- +
  • Technical Information
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  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00082K
Chemical Name:
3-(3-Thienyl)acrylic acid
CAS Number:
102696-71-9
Molecular Formula:
C7H6O2S
Molecular Weight:
154.1863
MDL Number:
MFCD00014535
IUPAC Name:
(E)-3-thiophen-3-ylprop-2-enoic acid
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
SMILES:
OC(=O)/C=C/c1cscc1
EC Number:
214-800-4
Properties
Computed Properties
 
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
154.009g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.183g/mol
Monoisotopic Mass:
154.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-(3-Thienyl)acrylic acid 
102696-71-9 
VYRYYUKILKRGDN-OWOJBTEDSA-N 
MFCD00014535 
2-Propenoic acid, 3-(3-thienyl)-, (2E)- 
(2E)-3-(3-thienyl)prop-2-enoic acid 
3-Thiopheneacrylic Acid 
(2e)-3-(3-thienyl)acrylic acid 
2-Propenoic acid, 3-(3-thienyl)- 
(E)-3-thiophen-3-ylprop-2-enoic acid 
EINECS 214-800-4 
AC1LEGO5 
1195-52-4 
Thiophene-3-acrylic acid 
AC1Q5RB0 
AI-942/25034372 
BIDD:GT0240 
(2E)-3-Thiopheneacrylic acid 
AC1Q71J2 
AC1Q71J3 
SCHEMBL1126746 
CHEMBL3397062 
.beta.-(3-Thienyl)acrylic acid 
3-thien-3-ylacrylic acid 
(E)-3-(3-Thienyl)acrylic acid 
HMS1746B11 
ZINC152933 
(e)-3-(thien-3-yl)acrylic acid 
2-Propenoic acid,3-(3-thienyl)- 
3-(Thien-3-yl)prop-2-enoic acid 
trans-3-thiophen-3-yl-acrylic acid 
7676AC 
SBB004033 
AKOS000263639 
(e)-3-(thiophen-3-yl)acrylic acid 
AKOS022488545 
ACN-042093 
NE45424 
RP01854 
(E)-3-(3-Thienyl)-2-propenoic acid 
NCGC00329821-01 
trans-3-(3-Thienyl)acrylic acid, 97% 
AJ-12847 
TS-02061 
(2E)-3-(3-Thienyl)-2-propenoic acid # 
trans-3-(3-Thienyl)acrylic acid 
RT-002620 
TC-170228 
ST50949611 
Y7208 
EN300-12891 
AB01324340-02 
I04-8454 
J-000768 
J-510630 
I04-13129 
(2E)-3-(thiophen-3-yl)prop-2-enoic acid 
C7H6O2S 
C7-H6-O2-S 
KST-1A0849 
AR-1A2312 
CID735793 
2-Hydroxy-4-methoxy-benzeneacetonitrile 
119777-71-8 
3-(thiophen-3-yl)acrylic acid 
3-(thiophen-3-yl)prop-2-enoic acid 
Trans-3-(3-thienyl)acrylic 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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