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114527-13-8 | Furan, 2,2'-[1,4-phenylenebis(methylene)]bis[5-methyl- (9CI)
CAS No: 114527-13-8 Catalog No: AG000EMT MDL No:
Product Description
Catalog Number:
AG000EMT
Chemical Name:
Furan, 2,2'-[1,4-phenylenebis(methylene)]bis[5-methyl- (9CI)
CAS Number:
114527-13-8
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
2-methyl-5-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]furan
InChI:
InChI=1S/C18H18O2/c1-13-3-9-17(19-13)11-15-5-7-16(8-6-15)12-18-10-4-14(2)20-18/h3-10H,11-12H2,1-2H3
InChI Key:
ITNIKQQEFVXJJY-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)Cc1ccc(cc1)Cc1ccc(o1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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