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114205-89-9 | Oxirane, 2,2'-[9H-fluoren-9-ylidenebis[(2-methyl-4,1-phenylene)oxymethylene]]bis-
CAS No: 114205-89-9 Catalog No: AG000AS9 MDL No:MFCD22494984
Product Description
Catalog Number:
AG000AS9
Chemical Name:
Oxirane, 2,2'-[9H-fluoren-9-ylidenebis[(2-methyl-4,1-phenylene)oxymethylene]]bis-
CAS Number:
114205-89-9
Molecular Formula:
C33H30O4
Molecular Weight:
490.5889
MDL Number:
MFCD22494984
IUPAC Name:
2-[[2-methyl-4-[9-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
InChI:
InChI=1S/C33H30O4/c1-21-15-23(11-13-31(21)36-19-25-17-34-25)33(24-12-14-32(22(2)16-24)37-20-26-18-35-26)29-9-5-3-7-27(29)28-8-4-6-10-30(28)33/h3-16,25-26H,17-20H2,1-2H3
InChI Key:
ABXGZTBEQZOCEE-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OCC1OC1)C1(c2ccc(c(c2)C)OCC2OC2)c2ccccc2c2c1cccc2
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.214g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.599g/mol
Monoisotopic Mass:
490.214g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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