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Home Other Building Blocks 4-Pentylphenyl acetic acid

4-Pentylphenyl acetic acid

CAS No.:
14377-21-0
Catalog Number:
AG001ICD
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$594
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Product Description
Catalog Number:
AG001ICD
Chemical Name:
4-Pentylphenyl acetic acid
CAS Number:
14377-21-0
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00605331
IUPAC Name:
2-(4-pentylphenyl)acetic acid
InChI:
InChI=1S/C13H18O2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
InChI Key:
YAAVVJAWWNQMCY-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)CC(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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