Home Other Building Blocks 4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid

4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid

CAS No.:
136849-75-7
Catalog Number:
AG0012GR
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0012GR
Chemical Name:
4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid
CAS Number:
136849-75-7
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
MDL Number:
MFCD00153508
IUPAC Name:
4-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid
InChI:
InChI=1S/C12H16O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7,13H,2-3,6,8H2,1H3,(H,14,15)
InChI Key:
HXOYWJCDYVODON-UHFFFAOYSA-N
SMILES:
COc1cc(OCCCC(=O)O)ccc1CO
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Using hydroxymethylphenoxy derivates with the SPOT technology to generate peptides with authentic C-termini. Bioorganic & medicinal chemistry letters 20080715
Properties