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188885-40-7 | Methanone, (oxydi-4,1-phenylene)bis[(3,4,5-trimethylphenyl)- (9CI)
CAS No: 188885-40-7 Catalog No: AG002HG4 MDL No:
Product Description
Catalog Number:
AG002HG4
Chemical Name:
Methanone, (oxydi-4,1-phenylene)bis[(3,4,5-trimethylphenyl)- (9CI)
CAS Number:
188885-40-7
Molecular Formula:
C32H30O3
Molecular Weight:
462.5788
IUPAC Name:
[4-[4-(3,4,5-trimethylbenzoyl)phenoxy]phenyl]-(3,4,5-trimethylphenyl)methanone
InChI:
InChI=1S/C32H30O3/c1-19-15-27(16-20(2)23(19)5)31(33)25-7-11-29(12-8-25)35-30-13-9-26(10-14-30)32(34)28-17-21(3)24(6)22(4)18-28/h7-18H,1-6H3
InChI Key:
ALSGJDNQOUIXCD-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)c(c(c1)C)C)c1ccc(cc1)Oc1ccc(cc1)C(=O)c1cc(C)c(c(c1)C)C
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.219g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.589g/mol
Monoisotopic Mass:
462.219g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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