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26189-89-9 | Cyclohexane, 1,1'-(1-methylethylidene)bis[4-isocyanato-
CAS No: 26189-89-9 Catalog No: AG002S49 MDL No:
Product Description
Catalog Number:
AG002S49
Chemical Name:
Cyclohexane, 1,1'-(1-methylethylidene)bis[4-isocyanato-
CAS Number:
26189-89-9
Molecular Formula:
C17H26N2O2
Molecular Weight:
290.4005
IUPAC Name:
1-isocyanato-4-[2-(4-isocyanatocyclohexyl)propan-2-yl]cyclohexane
InChI:
InChI=1S/C17H26N2O2/c1-17(2,13-3-7-15(8-4-13)18-11-20)14-5-9-16(10-6-14)19-12-21/h13-16H,3-10H2,1-2H3
InChI Key:
LYDHLGJJJAWBDY-UHFFFAOYSA-N
SMILES:
O=C=NC1CCC(CC1)C(C1CCC(CC1)N=C=O)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.407g/mol
Monoisotopic Mass:
290.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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