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77704-50-8 | Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester, (2S)-
CAS No: 77704-50-8 Catalog No: AG0058FY MDL No:
Product Description
Catalog Number:
AG0058FY
Chemical Name:
Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester, (2S)-
CAS Number:
77704-50-8
Molecular Formula:
C11H13N3O5
Molecular Weight:
267.2380
IUPAC Name:
2-isocyanatoethyl (2S)-2,6-diisocyanatohexanoate
InChI:
InChI=1S/C11H13N3O5/c15-7-12-4-2-1-3-10(14-9-17)11(18)19-6-5-13-8-16/h10H,1-6H2/t10-/m0/s1
InChI Key:
GNDOBZLRZOCGAS-JTQLQIEISA-N
SMILES:
O=C=NCCCC[C@@H](C(=O)OCCN=C=O)N=C=O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.241g/mol
Monoisotopic Mass:
267.086g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Effect of annealing on the mechanical properties of PLA/PCL and PLA/PCL/LTI polymer blends. | Journal of the mechanical behavior of biomedical materials 20110401 |
| Thermal characteristics of lysine tri-isocyanate and its mixture with water. | Journal of hazardous materials 20070411 |
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