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

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

CAS No.:
51632-35-0
Catalog Number:
AG01B6Q0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG01B6Q0
Chemical Name:
2-(3-methoxyphenyl)-3-methylbutanoic acid
CAS Number:
51632-35-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD11590452
IUPAC Name:
2-(3-methoxyphenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C12H16O3/c1-8(2)11(12(13)14)9-5-4-6-10(7-9)15-3/h4-8,11H,1-3H3,(H,13,14)
InChI Key:
MJGOQSIKBQCAJZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(C(=O)O)C(C)C
Properties
Complexity:
213  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties