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119031-24-2 | Benzenepropanoic acid, β-oxo-2-phenoxy-, ethyl ester
CAS No: 119031-24-2 Catalog No: AG000P4A MDL No:
Product Description
Catalog Number:
AG000P4A
Chemical Name:
Benzenepropanoic acid, β-oxo-2-phenoxy-, ethyl ester
CAS Number:
119031-24-2
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
ethyl 3-oxo-3-(2-phenoxyphenyl)propanoate
InChI:
InChI=1S/C17H16O4/c1-2-20-17(19)12-15(18)14-10-6-7-11-16(14)21-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChI Key:
VXYBRLCAWQBJBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccccc1Oc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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