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Home Other Building Blocks 4-Aminocinnamic acid

4-Aminocinnamic acid

CAS No.:
2393-18-2
Catalog Number:
AG0033WL
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$75
- +
10g
97%
In Stock USA
United States
$113
- +
25g
97%
In Stock USA
United States
$238
- +
100g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0033WL
Chemical Name:
4-Aminocinnamic acid
CAS Number:
2393-18-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00017117
IUPAC Name:
(E)-3-(4-aminophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+
InChI Key:
JOLPMPPNHIACPD-ZZXKWVIFSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)N
EC Number:
219-246-7
NSC Number:
1780
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A). Bioorganic & medicinal chemistry letters 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties