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102416-49-9 | Propanoic acid, 2-(2,5-dimethylphenoxy)-2-methyl-, ethyl ester
CAS No: 102416-49-9 Catalog No: AG0007EN MDL No:
Product Description
Catalog Number:
AG0007EN
Chemical Name:
Propanoic acid, 2-(2,5-dimethylphenoxy)-2-methyl-, ethyl ester
CAS Number:
102416-49-9
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
ethyl 2-(2,5-dimethylphenoxy)-2-methylpropanoate
InChI:
InChI=1S/C14H20O3/c1-6-16-13(15)14(4,5)17-12-9-10(2)7-8-11(12)3/h7-9H,6H2,1-5H3
InChI Key:
FJJUGKPAFOGWAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1cc(C)ccc1C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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