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127667-44-1 | Cyanic acid, C,C'-[1,3-phenylenebis[(1-methylethylidene)-4,1-phenylene]] ester
CAS No: 127667-44-1 Catalog No: AG000XAF MDL No:MFCD09750966
Product Description
Catalog Number:
AG000XAF
Chemical Name:
Cyanic acid, C,C'-[1,3-phenylenebis[(1-methylethylidene)-4,1-phenylene]] ester
CAS Number:
127667-44-1
Molecular Formula:
C26H24N2O2
Molecular Weight:
396.4810
MDL Number:
MFCD09750966
IUPAC Name:
[4-[2-[3-[2-(4-cyanatophenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] cyanate
InChI:
InChI=1S/C26H24N2O2/c1-25(2,19-8-12-23(13-9-19)29-17-27)21-6-5-7-22(16-21)26(3,4)20-10-14-24(15-11-20)30-18-28/h5-16H,1-4H3
InChI Key:
QODYBLNVIHQJIW-UHFFFAOYSA-N
SMILES:
N#COc1ccc(cc1)C(c1cccc(c1)C(c1ccc(cc1)OC#N)(C)C)(C)C
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.49g/mol
Monoisotopic Mass:
396.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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