Home Other Building Blocks 5-(2,5-dimethylphenoxy)pentanoic acid

5-(2,5-dimethylphenoxy)pentanoic acid

CAS No.:
443924-74-1
Catalog Number:
AG019XGE
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG019XGE
Chemical Name:
5-(2,5-dimethylphenoxy)pentanoic acid
CAS Number:
443924-74-1
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD11192933
IUPAC Name:
5-(2,5-dimethylphenoxy)pentanoic acid
InChI:
InChI=1S/C13H18O3/c1-10-6-7-11(2)12(9-10)16-8-4-3-5-13(14)15/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChI Key:
GDELSTPAOVZJKB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1OCCCCC(=O)O)C
Properties
Complexity:
215  
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:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties