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69878-18-8

69878-18-8 | Hexanoic acid,2,6-diisocyanato-, 2-isocyanatoethyl ester

CAS No: 69878-18-8 Catalog No: AG0036KM MDL No:MFCD06797097

Product Description

Catalog Number:
AG0036KM
Chemical Name:
Hexanoic acid,2,6-diisocyanato-, 2-isocyanatoethyl ester
CAS Number:
69878-18-8
Molecular Formula:
C11H13N3O5
Molecular Weight:
267.2380
MDL Number:
MFCD06797097
IUPAC Name:
2-isocyanatoethyl 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
InChI Key:
GNDOBZLRZOCGAS-UHFFFAOYSA-N
SMILES:
O=C=NCCCCC(C(=O)OCCN=C=O)N=C=O
EC Number:
274-179-0

Properties

Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
In situ organogelation at room temperature: direct synthesis of gelators in organic solvents. Organic & biomolecular chemistry 20040421

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