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Home Other Building Blocks Methyl 2,6-diisocyanatohexanoate

Methyl 2,6-diisocyanatohexanoate

CAS No.:
4460-02-0
Catalog Number:
AG0037UN
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
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Product Description
Catalog Number:
AG0037UN
Chemical Name:
Methyl 2,6-diisocyanatohexanoate
CAS Number:
4460-02-0
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD16293867
IUPAC Name:
methyl 2,6-diisocyanatohexanoate
InChI:
InChI=1S/C9H12N2O4/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3
InChI Key:
AYLRODJJLADBOB-UHFFFAOYSA-N
SMILES:
O=C=NCCCCC(C(=O)OC)N=C=O
EC Number:
224-712-8
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Evaluation of in situ curable biodegradable polyurethanes containing zwitterion components. Journal of materials science. Materials in medicine 20100401
In situ organogelation at room temperature: direct synthesis of gelators in organic solvents. Organic & biomolecular chemistry 20040421
Properties