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136849-75-7 | Butanoic acid, 4-[4-(hydroxymethyl)-3-methoxyphenoxy]-
CAS No: 136849-75-7 Catalog No: AG0012GR MDL No:MFCD00153508
Product Description
Catalog Number:
AG0012GR
Chemical Name:
Butanoic acid, 4-[4-(hydroxymethyl)-3-methoxyphenoxy]-
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 |
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