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84712-83-4 | Cyclohexane,1,4-diisocyanato-2,3,5,6-tetramethyl-
CAS No: 84712-83-4 Catalog No: AG004PHW MDL No:
Product Description
Catalog Number:
AG004PHW
Chemical Name:
Cyclohexane,1,4-diisocyanato-2,3,5,6-tetramethyl-
CAS Number:
84712-83-4
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
1,4-diisocyanato-2,3,5,6-tetramethylcyclohexane
InChI:
InChI=1S/C12H18N2O2/c1-7-8(2)12(14-6-16)10(4)9(3)11(7)13-5-15/h7-12H,1-4H3
InChI Key:
QKNMFOYJBHCEGR-UHFFFAOYSA-N
SMILES:
CC1C(C)C(N=C=O)C(C(C1N=C=O)C)C
EC Number:
283-774-4
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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