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83748-30-5

83748-30-5 | Hexane, 1,6-diisocyanato-2,2,4,4-tetramethyl-

CAS No: 83748-30-5 Catalog No: AG004SQV MDL No:

Product Description

Catalog Number:
AG004SQV
Chemical Name:
Hexane, 1,6-diisocyanato-2,2,4,4-tetramethyl-
CAS Number:
83748-30-5
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
1,6-diisocyanato-2,2,4,4-tetramethylhexane
InChI:
InChI=1S/C12H20N2O2/c1-11(2,5-6-13-9-15)7-12(3,4)8-14-10-16/h5-8H2,1-4H3
InChI Key:
VLVVSHOQIJBJAG-UHFFFAOYSA-N
SMILES:
O=C=NCCC(CC(CN=C=O)(C)C)(C)C

Properties

Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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