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117252-00-3 | Benzoic acid, 3-phenoxy-, 2-(4-ethoxyphenyl)-2-methylpropyl ester
CAS No: 117252-00-3 Catalog No: AG000DZJ MDL No:
Product Description
Catalog Number:
AG000DZJ
Chemical Name:
Benzoic acid, 3-phenoxy-, 2-(4-ethoxyphenyl)-2-methylpropyl ester
CAS Number:
117252-00-3
Molecular Formula:
C25H26O4
Molecular Weight:
390.4715
IUPAC Name:
[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate
InChI:
InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3
InChI Key:
LXGQWWFUERYNCP-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.183g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.479g/mol
Monoisotopic Mass:
390.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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