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

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

CAS No.:
926206-19-1
Catalog Number:
AG01A7M2
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
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Product Description
Catalog Number:
AG01A7M2
Chemical Name:
2-[4-(3-oxobutyl)phenoxy]acetic acid
CAS Number:
926206-19-1
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD09048028
IUPAC Name:
2-[4-(3-oxobutyl)phenoxy]acetic acid
InChI:
InChI=1S/C12H14O4/c1-9(13)2-3-10-4-6-11(7-5-10)16-8-12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
InChI Key:
BYUZYVCTSSHDHC-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc(cc1)OCC(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties