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Home Other Building Blocks 4-Methylphenoxyacetic acid

4-Methylphenoxyacetic acid

CAS No.:
940-64-7
Catalog Number:
AG003BWF
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG003BWF
Chemical Name:
4-Methylphenoxyacetic acid
CAS Number:
940-64-7
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00014365
IUPAC Name:
2-(4-methylphenoxy)acetic acid
InChI:
InChI=1S/C9H10O3/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
SFTDDFBJWUWKMN-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)C
EC Number:
213-374-7
UNII:
WWY23322IK
NSC Number:
38176
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Conjugates of desferrioxamine B (DFOB) with derivatives of adamantane or with orally available chelators as potential agents for treating iron overload. Journal of medicinal chemistry 20100211
Properties