Home Other Building Blocks 2-(3-tert-butylphenoxy)butanoic acid

2-(3-tert-butylphenoxy)butanoic acid

CAS No.:
1157985-51-7
Catalog Number:
AG01A9ZF
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
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Product Description
Catalog Number:
AG01A9ZF
Chemical Name:
2-(3-tert-butylphenoxy)butanoic acid
CAS Number:
1157985-51-7
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
MDL Number:
MFCD12067225
IUPAC Name:
2-(3-tert-butylphenoxy)butanoic acid
InChI:
InChI=1S/C14H20O3/c1-5-12(13(15)16)17-11-8-6-7-10(9-11)14(2,3)4/h6-9,12H,5H2,1-4H3,(H,15,16)
InChI Key:
IOUZSIUXDWNRLL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Oc1cccc(c1)C(C)(C)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties