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88768-56-3 | Furan, 2,2'-(1-methylethylidene)bis[5-(isocyanatomethyl)-
CAS No: 88768-56-3 Catalog No: AG004B77 MDL No:
Product Description
Catalog Number:
AG004B77
Chemical Name:
Furan, 2,2'-(1-methylethylidene)bis[5-(isocyanatomethyl)-
CAS Number:
88768-56-3
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
2-(isocyanatomethyl)-5-[2-[5-(isocyanatomethyl)furan-2-yl]propan-2-yl]furan
InChI:
InChI=1S/C15H14N2O4/c1-15(2,13-5-3-11(20-13)7-16-9-18)14-6-4-12(21-14)8-17-10-19/h3-6H,7-8H2,1-2H3
InChI Key:
ODCDLJJEBDKLSA-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(o1)C(c1ccc(o1)CN=C=O)(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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