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

3-(4-Methylbenzoyl)acrylic acid

CAS No.:
20972-36-5
Catalog Number:
AG002KDM
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$65
- +
5g
≥ 98% (HPLC)
1 week
United States
$129
- +
25g
≥ 98% (HPLC)
1 week
United States
$431
- +
50g
≥ 98% (HPLC)
1 week
United States
$772
- +
Product Description
Catalog Number:
AG002KDM
Chemical Name:
3-(4-Methylbenzoyl)acrylic acid
CAS Number:
20972-36-5
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD00075338
IUPAC Name:
(E)-4-(4-methylphenyl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChI Key:
VNJMEFZKYZHWEO-VOTSOKGWSA-N
SMILES:
O=C(c1ccc(cc1)C)/C=C/C(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields. European journal of medicinal chemistry 20110801
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
Properties