Home Other Building Blocks 1,6-Diisocyanatohexane

1,6-Diisocyanatohexane

CAS No.:
822-06-0
Catalog Number:
AG003DRA
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Purity
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Product Description
Catalog Number:
AG003DRA
Chemical Name:
1,6-Diisocyanatohexane
CAS Number:
822-06-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD00002047
IUPAC Name:
1,6-diisocyanatohexane
InChI:
InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
InChI Key:
RRAMGCGOFNQTLD-UHFFFAOYSA-N
SMILES:
O=C=NCCCCCCN=C=O
EC Number:
212-485-8
UNII:
0I70A3I1UF
NSC Number:
11687
RTECS Number:
MO1740000
UN Number:
2281
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
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