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5711-41-1,MFCD00020486
Catalog No.:AA003I1W
5711-41-1 | 3-(4-Methoxybenzoyl)acrylic acid
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1g
≥ 97% (HPLC)
1 week  
$126.00   $88.00
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5g
≥ 97% (HPLC)
1 week  
$321.00   $225.00
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25g
≥ 97% (HPLC)
1 week  
$1,244.00   $871.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003I1W
Chemical Name:
3-(4-Methoxybenzoyl)acrylic acid
CAS Number:
5711-41-1
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD00020486
IUPAC Name:
(E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChI Key:
WORYXBDHTBWLLL-VOTSOKGWSA-N
SMILES:
COc1ccc(cc1)C(=O)/C=C/C(=O)O
NSC Number:
25331
Properties
Computed Properties
 
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
5711-41-1 
3-(4-METHOXYBENZOYL)ACRYLIC ACID 
AC1NS6T6 
SCHEMBL599210 
SCHEMBL599211 
CHEMBL1806616 
NIOSH/AT2250000 
DTXSID60417897 
ZINC129051 
8382AB 
KM0071 
STL301521 
4-(4-methoxyphenyl)-4-oxobut-2-enoic acid 
AKOS000280374 
AB01276 
FS-5089 
gamma-Oxo-4-methoxybenzenecrotonic acid 
trans-3-(4-Methoxybenzoyl)acrylic acid 
AJ-12069 
BBV-39187469 
4-(4-Methoxyphenyl)-4-oxo-buten-2-saeure 
AX8080166 
ST2405393 
3-(p-Methoxybenzoyl)acrylic acid 
TC-170192 
4-(4-Methoxyphenyl)-4-oxo-2-butenoic acid 
AT22500000 
BB 0218776 
ST50411486 
trans-3-(4-Methoxybenzoyl)acrylic acid, 99% 
4-(4-Methoxyphenyl)-4-oxo-buten-2-saeure [German] 
I01-22533 
3- ACRYLICACID 
C11H10O4 
(E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid 
CID5355095 
(2E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid 
MFCD00020486 
NSC-25331 
Acrylic acid, 3-(p-methoxybenzoyl)- 
NSC25331 
Literature

Title: Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields.

Journal: European journal of medicinal chemistry 20110801

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