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1486-49-3 | Benzoic acid, 4-(phenylmethoxy)-, anhydride with 4-(phenylmethoxy)benzoic acid
CAS No: 1486-49-3 Catalog No: AG001L24 MDL No:
Product Description
Catalog Number:
AG001L24
Chemical Name:
Benzoic acid, 4-(phenylmethoxy)-, anhydride with 4-(phenylmethoxy)benzoic acid
CAS Number:
1486-49-3
Molecular Formula:
C28H22O5
Molecular Weight:
438.4713
IUPAC Name:
(4-phenylmethoxybenzoyl) 4-phenylmethoxybenzoate
InChI:
InChI=1S/C28H22O5/c29-27(23-11-15-25(16-12-23)31-19-21-7-3-1-4-8-21)33-28(30)24-13-17-26(18-14-24)32-20-22-9-5-2-6-10-22/h1-18H,19-20H2
InChI Key:
KVVRJYYXGYCCLY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OCc1ccccc1)OC(=O)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.147g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.479g/mol
Monoisotopic Mass:
438.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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