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68882-57-5

68882-57-5 | 5-Methylnonamethylene diisocyanate

CAS No: 68882-57-5 Catalog No: AG006FYZ MDL No:

Product Description

Catalog Number:
AG006FYZ
Chemical Name:
5-Methylnonamethylene diisocyanate
CAS Number:
68882-57-5
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
1,9-diisocyanato-5-methylnonane
InChI:
InChI=1S/C12H20N2O2/c1-12(6-2-4-8-13-10-15)7-3-5-9-14-11-16/h12H,2-9H2,1H3
InChI Key:
MIDIHVRZNKERPO-UHFFFAOYSA-N
SMILES:
CC(CCCCN=C=O)CCCCN=C=O
EC Number:
272-572-1

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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