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56424-77-2 | Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
CAS No: 56424-77-2 Catalog No: AG003QG9 MDL No:
Product Description
Catalog Number:
AG003QG9
Chemical Name:
Ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
CAS Number:
56424-77-2
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate
InChI:
InChI=1S/C13H16O5/c1-3-16-12(14)9-18-11-8-6-5-7-10(11)13(15)17-4-2/h5-8H,3-4,9H2,1-2H3
InChI Key:
NIUVYKIVCCMXLR-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccccc1C(=O)OCC
NSC Number:
406676
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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