Home Other Building Blocks 3-(4-methoxyphenyl)pentanoic acid

3-(4-methoxyphenyl)pentanoic acid

CAS No.:
30211-63-3
Catalog Number:
AG01A23F
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG01A23F
Chemical Name:
3-(4-methoxyphenyl)pentanoic acid
CAS Number:
30211-63-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD09889672
IUPAC Name:
3-(4-methoxyphenyl)pentanoic acid
InChI:
InChI=1S/C12H16O3/c1-3-9(8-12(13)14)10-4-6-11(15-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChI Key:
PWZOXDFQHQZWLK-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)OC)CC(=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:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties