Home Other Building Blocks 2-[4-(3-oxobutyl)phenoxy]propanoic acid

2-[4-(3-oxobutyl)phenoxy]propanoic acid

CAS No.:
926206-54-4
Catalog Number:
AG01A7NO
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
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Product Description
Catalog Number:
AG01A7NO
Chemical Name:
2-[4-(3-oxobutyl)phenoxy]propanoic acid
CAS Number:
926206-54-4
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD09049900
IUPAC Name:
2-[4-(3-oxobutyl)phenoxy]propanoic acid
InChI:
InChI=1S/C13H16O4/c1-9(14)3-4-11-5-7-12(8-6-11)17-10(2)13(15)16/h5-8,10H,3-4H2,1-2H3,(H,15,16)
InChI Key:
GYDOYXODECNPER-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc(cc1)OC(C(=O)O)C
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties