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

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

CAS No.:
926196-68-1
Catalog Number:
AG01A7W5
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A7W5
Chemical Name:
3-[4-(3-oxobutyl)phenoxy]propanoic acid
CAS Number:
926196-68-1
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD09042991
IUPAC Name:
3-[4-(3-oxobutyl)phenoxy]propanoic acid
InChI:
InChI=1S/C13H16O4/c1-10(14)2-3-11-4-6-12(7-5-11)17-9-8-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)
InChI Key:
CEURSLCOGMORAR-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc(cc1)OCCC(=O)O
Properties
Complexity:
254  
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:
7  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties