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41283-72-1 | Ethyl 2-(4-isobutylphenyl)propanoate
CAS No: 41283-72-1 Catalog No: AG003Q1O MDL No:MFCD00869901
Product Description
Catalog Number:
AG003Q1O
Chemical Name:
Ethyl 2-(4-isobutylphenyl)propanoate
CAS Number:
41283-72-1
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD00869901
IUPAC Name:
ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
InChI:
InChI=1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChI Key:
HXTFUVWJFLDLJP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)CC(C)C)C
EC Number:
255-291-9
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| [Study on ion beam mutagenizing of the Trichosporon lactis T for enantioselective separation of ibuprofen]. | Wei sheng wu xue bao = Acta microbiologica Sinica 20060401 |
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