Home Other Building Blocks 4-(2-methoxyphenyl)-3-methylbutanoic acid

4-(2-methoxyphenyl)-3-methylbutanoic acid

CAS No.:
331236-47-6
Catalog Number:
AG01AGI5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG01AGI5
Chemical Name:
4-(2-methoxyphenyl)-3-methylbutanoic acid
CAS Number:
331236-47-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00582458
IUPAC Name:
4-(2-methoxyphenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C12H16O3/c1-9(8-12(13)14)7-10-5-3-4-6-11(10)15-2/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChI Key:
WAXGTOBKXADUQN-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC(CC(=O)O)C
Properties
Complexity:
203  
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:
2.9  
Properties