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122496-85-9 | Hexane, 1,6-diisocyanato-3,3,4-trimethyl-
CAS No: 122496-85-9 Catalog No: AG0017BD MDL No:
Product Description
Catalog Number:
AG0017BD
Chemical Name:
Hexane, 1,6-diisocyanato-3,3,4-trimethyl-
CAS Number:
122496-85-9
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
1,6-diisocyanato-3,3,4-trimethylhexane
InChI:
InChI=1S/C11H18N2O2/c1-10(4-6-12-8-14)11(2,3)5-7-13-9-15/h10H,4-7H2,1-3H3
InChI Key:
JOQZTPJJJFIYLN-UHFFFAOYSA-N
SMILES:
O=C=NCCC(C(CCN=C=O)(C)C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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