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Home Other Building Blocks 2-(Carboxymethoxy)benzoic acid

2-(Carboxymethoxy)benzoic acid

CAS No.:
635-53-0
Catalog Number:
AG003F05
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003F05
Chemical Name:
2-(Carboxymethoxy)benzoic acid
CAS Number:
635-53-0
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD00021754
IUPAC Name:
2-(carboxymethoxy)benzoic acid
InChI:
InChI=1S/C9H8O5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key:
JLLXSRLEXBECPY-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccccc1C(=O)O
NSC Number:
1335
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Modification of the N-terminus of peptidomimetic protein tyrosine phosphatase 1B (PTP1B) inhibitors: identification of analogues with cellular activity. Bioorganic & medicinal chemistry letters 20030310
Investigation of potential bioisosteric replacements for the carboxyl groups of peptidomimetic inhibitors of protein tyrosine phosphatase 1B: identification of a tetrazole-containing inhibitor with cellular activity. Journal of medicinal chemistry 20020425
Synthesis and biological activity of a novel class of small molecular weight peptidomimetic competitive inhibitors of protein tyrosine phosphatase 1B. Journal of medicinal chemistry 20020131
Properties