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Home Other Building Blocks 3-(4-Methoxybenzoyl)acrylic acid

3-(4-Methoxybenzoyl)acrylic acid

CAS No.:
5711-41-1
Catalog Number:
AG003I4O
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 97% (HPLC)
1 week
United States
$91
- +
5g
≥ 97% (HPLC)
1 week
United States
$243
- +
25g
≥ 97% (HPLC)
1 week
United States
$961
- +
Product Description
Catalog Number:
AG003I4O
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
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  
Literature
Title Journal
Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields. European journal of medicinal chemistry 20110801
Properties