Home Other Building Blocks 6-(4-methoxyphenyl)hexanoic acid

6-(4-methoxyphenyl)hexanoic acid

CAS No.:
107228-87-5
Catalog Number:
AG01AA3E
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG01AA3E
Chemical Name:
6-(4-methoxyphenyl)hexanoic acid
CAS Number:
107228-87-5
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD12172613
IUPAC Name:
6-(4-methoxyphenyl)hexanoic acid
InChI:
InChI=1S/C13H18O3/c1-16-12-9-7-11(8-10-12)5-3-2-4-6-13(14)15/h7-10H,2-6H2,1H3,(H,14,15)
InChI Key:
GYLAUURZVLOHNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCCCCC(=O)O
Properties
Complexity:
195  
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:
7  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties