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5524-57-2 | Ethyl 2-mesityl-2-oxoacetate
CAS No: 5524-57-2 Catalog No: AG003QFQ MDL No:MFCD00151821
Product Description
Catalog Number:
AG003QFQ
Chemical Name:
Ethyl 2-mesityl-2-oxoacetate
CAS Number:
5524-57-2
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD00151821
IUPAC Name:
ethyl 2-oxo-2-(2,4,6-trimethylphenyl)acetate
InChI:
InChI=1S/C13H16O3/c1-5-16-13(15)12(14)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3
InChI Key:
XRSPPFOBPRPYLD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1c(C)cc(cc1C)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:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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