Home Other Building Blocks 2-[2-(propan-2-yl)phenoxy]butanoic acid

2-[2-(propan-2-yl)phenoxy]butanoic acid

CAS No.:
161790-49-4
Catalog Number:
AG01AB4L
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG01AB4L
Chemical Name:
2-[2-(propan-2-yl)phenoxy]butanoic acid
CAS Number:
161790-49-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD03422258
IUPAC Name:
2-(2-propan-2-ylphenoxy)butanoic acid
InChI:
InChI=1S/C13H18O3/c1-4-11(13(14)15)16-12-8-6-5-7-10(12)9(2)3/h5-9,11H,4H2,1-3H3,(H,14,15)
InChI Key:
ZOTASNZXNMVFMO-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Oc1ccccc1C(C)C
Properties
Complexity:
225  
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:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties