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1194825-75-6 | Ethyl (2-ethylbenzoyl)acetate
CAS No: 1194825-75-6 Catalog No: AG01FF59 MDL No:
Product Description
Catalog Number:
AG01FF59
Chemical Name:
Ethyl (2-ethylbenzoyl)acetate
CAS Number:
1194825-75-6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
ethyl 3-(2-ethylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C13H16O3/c1-3-10-7-5-6-8-11(10)12(14)9-13(15)16-4-2/h5-8H,3-4,9H2,1-2H3
InChI Key:
ISDXYPXRNDAGFM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccccc1CC
Properties
Complexity:
248
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:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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