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1225532-71-7 | 3-(3-Methoxyphenyl)-2,2-dimethylpropanoic acid
CAS No: 1225532-71-7 Catalog No: AG01FA0C MDL No:
Product Description
Catalog Number:
AG01FA0C
Chemical Name:
3-(3-Methoxyphenyl)-2,2-dimethylpropanoic acid
CAS Number:
1225532-71-7
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
3-(3-methoxyphenyl)-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C12H16O3/c1-12(2,11(13)14)8-9-5-4-6-10(7-9)15-3/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
GZLHHYQMKWFNLI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(C(=O)O)(C)C
Properties
Complexity:
223
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:
2.6
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