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80120-34-9 | ETHYL 2,4,5-TRIMETHYLBENZOYLFORMATE
CAS No: 80120-34-9 Catalog No: AG0054MY MDL No:MFCD09801443
Product Description
Catalog Number:
AG0054MY
Chemical Name:
ETHYL 2,4,5-TRIMETHYLBENZOYLFORMATE
CAS Number:
80120-34-9
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD09801443
IUPAC Name:
ethyl 2-oxo-2-(2,4,5-trimethylphenyl)acetate
InChI:
InChI=1S/C13H16O3/c1-5-16-13(15)12(14)11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3
InChI Key:
PAYYIZNLYOSVAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(C)c(cc1C)C
Properties
Complexity:
272
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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