Home Other Building Blocks 4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid

4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid

CAS No.:
25380-95-4
Catalog Number:
AG01BS7U
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG01BS7U
Chemical Name:
4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid
CAS Number:
25380-95-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD19318975
IUPAC Name:
4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C13H18O3/c1-13(2,9-12(14)15)8-10-5-4-6-11(7-10)16-3/h4-7H,8-9H2,1-3H3,(H,14,15)
InChI Key:
WIOBJKISLAORQO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(CC(=O)O)(C)C
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties