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114194-35-3 | Benzene, 1,1'-methylenebis[4-[(2-methylphenyl)methoxy]-
CAS No: 114194-35-3 Catalog No: AG000AS0 MDL No:
Product Description
Catalog Number:
AG000AS0
Chemical Name:
Benzene, 1,1'-methylenebis[4-[(2-methylphenyl)methoxy]-
CAS Number:
114194-35-3
Molecular Formula:
C29H28O2
Molecular Weight:
408.5314
IUPAC Name:
1-methyl-2-[[4-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]phenoxy]methyl]benzene
InChI:
InChI=1S/C29H28O2/c1-22-7-3-5-9-26(22)20-30-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)31-21-27-10-6-4-8-23(27)2/h3-18H,19-21H2,1-2H3
InChI Key:
XOEWKQDXTOOPNC-UHFFFAOYSA-N
SMILES:
Cc1ccccc1COc1ccc(cc1)Cc1ccc(cc1)OCc1ccccc1C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.209g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.541g/mol
Monoisotopic Mass:
408.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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