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

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

CAS No.:
54961-40-9
Catalog Number:
AG01BHU4
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG01BHU4
Chemical Name:
4-(3-methoxyphenyl)-3-methylbutanoic acid
CAS Number:
54961-40-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD16307199
IUPAC Name:
4-(3-methoxyphenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C12H16O3/c1-9(7-12(13)14)6-10-4-3-5-11(8-10)15-2/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChI Key:
TZVBTYAWKKAEOZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(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:
2.4  
Properties