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113855-59-7 | Benzoic acid, 4-(4-phenoxyphenoxy)-, phenyl ester
CAS No: 113855-59-7 Catalog No: AG0009XD MDL No:
Product Description
Catalog Number:
AG0009XD
Chemical Name:
Benzoic acid, 4-(4-phenoxyphenoxy)-, phenyl ester
CAS Number:
113855-59-7
Molecular Formula:
C25H18O4
Molecular Weight:
382.4080
IUPAC Name:
phenyl 4-(4-phenoxyphenoxy)benzoate
InChI:
InChI=1S/C25H18O4/c26-25(29-21-9-5-2-6-10-21)19-11-13-22(14-12-19)28-24-17-15-23(16-18-24)27-20-7-3-1-4-8-20/h1-18H
InChI Key:
AQDIZWPTFLPFRZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccc(cc1)Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.121g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.415g/mol
Monoisotopic Mass:
382.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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