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124317-26-6 | Propanoic acid, 2-(2,6-dimethylphenoxy)-, ethyl ester
CAS No: 124317-26-6 Catalog No: AG000LUN MDL No:
Product Description
Catalog Number:
AG000LUN
Chemical Name:
Propanoic acid, 2-(2,6-dimethylphenoxy)-, ethyl ester
CAS Number:
124317-26-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
ethyl 2-(2,6-dimethylphenoxy)propanoate
InChI:
InChI=1S/C13H18O3/c1-5-15-13(14)11(4)16-12-9(2)7-6-8-10(12)3/h6-8,11H,5H2,1-4H3
InChI Key:
SADXEKYGWAIJCX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1c(C)cccc1C)C
Properties
Complexity:
217
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:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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