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137245-53-5 | 1(3H)-Isobenzofuranone, 3-(4-phenoxyphenyl)-3-phenyl-
CAS No: 137245-53-5 Catalog No: AG0012ZM MDL No:
Product Description
Catalog Number:
AG0012ZM
Chemical Name:
1(3H)-Isobenzofuranone, 3-(4-phenoxyphenyl)-3-phenyl-
CAS Number:
137245-53-5
Molecular Formula:
C26H18O3
Molecular Weight:
378.4193
IUPAC Name:
3-(4-phenoxyphenyl)-3-phenyl-2-benzofuran-1-one
InChI:
InChI=1S/C26H18O3/c27-25-23-13-7-8-14-24(23)26(29-25,19-9-3-1-4-10-19)20-15-17-22(18-16-20)28-21-11-5-2-6-12-21/h1-18H
InChI Key:
IPJAVQVBELWCNA-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(c1ccc(cc1)Oc1ccccc1)c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.126g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.427g/mol
Monoisotopic Mass:
378.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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