Home Other Building Blocks 3-(2,3,5-trimethylphenoxy)propanoic acid

3-(2,3,5-trimethylphenoxy)propanoic acid

CAS No.:
63545-27-7
Catalog Number:
AG01AGJO
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG01AGJO
Chemical Name:
3-(2,3,5-trimethylphenoxy)propanoic acid
CAS Number:
63545-27-7
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD09718099
IUPAC Name:
3-(2,3,5-trimethylphenoxy)propanoic acid
InChI:
InChI=1S/C12H16O3/c1-8-6-9(2)10(3)11(7-8)15-5-4-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChI Key:
IYKHBSNWWZFYFY-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cc(C)cc(c1C)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:
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:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties