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

2-(3-tert-butylphenoxy)propanoic acid

CAS No.:
50397-71-2
Catalog Number:
AG019V8Q
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG019V8Q
Chemical Name:
2-(3-tert-butylphenoxy)propanoic acid
CAS Number:
50397-71-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD08443450
IUPAC Name:
2-(3-tert-butylphenoxy)propanoic acid
InChI:
InChI=1S/C13H18O3/c1-9(12(14)15)16-11-7-5-6-10(8-11)13(2,3)4/h5-9H,1-4H3,(H,14,15)
InChI Key:
KANKFINQYMYIRL-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1cccc(c1)C(C)(C)C)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties