Home Other Building Blocks 4-(4-acetyl-2-methoxyphenoxy)butanoic acid

4-(4-acetyl-2-methoxyphenoxy)butanoic acid

CAS No.:
174884-22-1
Catalog Number:
AG019UJ6
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
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Product Description
Catalog Number:
AG019UJ6
Chemical Name:
4-(4-acetyl-2-methoxyphenoxy)butanoic acid
CAS Number:
174884-22-1
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD09806642
IUPAC Name:
4-(4-acetyl-2-methoxyphenoxy)butanoic acid
InChI:
InChI=1S/C13H16O5/c1-9(14)10-5-6-11(12(8-10)17-2)18-7-3-4-13(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)
InChI Key:
AJSDTGPNCVIIFP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCCCC(=O)O)C(=O)C
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties