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25960-47-8 | 1,1':3',1''-Terphenyl, 4-methoxy-5'-phenyl- (9CI)
CAS No: 25960-47-8 Catalog No: AG002R70 MDL No:
Product Description
Catalog Number:
AG002R70
Chemical Name:
1,1':3',1''-Terphenyl, 4-methoxy-5'-phenyl- (9CI)
CAS Number:
25960-47-8
Molecular Formula:
C25H20O
Molecular Weight:
336.4257
IUPAC Name:
1-(4-methoxyphenyl)-3,5-diphenylbenzene
InChI:
InChI=1S/C25H20O/c1-26-25-14-12-21(13-15-25)24-17-22(19-8-4-2-5-9-19)16-23(18-24)20-10-6-3-7-11-20/h2-18H,1H3
InChI Key:
YKJNSHHHDTZEIM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(cc(c1)c1ccccc1)c1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.151g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.434g/mol
Monoisotopic Mass:
336.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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