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(S)-(+)-2-NONYL ISOCYANATE

CAS No.:
745783-85-1
Catalog Number:
AG003CGZ
Molecular Formula:
C10H19NO
Molecular Weight:
169.2640
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Product Description
Catalog Number:
AG003CGZ
Chemical Name:
(S)-(+)-2-NONYL ISOCYANATE
CAS Number:
745783-85-1
Molecular Formula:
C10H19NO
Molecular Weight:
169.2640
MDL Number:
MFCD05664087
IUPAC Name:
(2S)-2-isocyanatononane
InChI:
InChI=1S/C10H19NO/c1-3-4-5-6-7-8-10(2)11-9-12/h10H,3-8H2,1-2H3/t10-/m0/s1
InChI Key:
BHXMYHDVDLZHAG-JTQLQIEISA-N
SMILES:
CCCCCCC[C@@H](N=C=O)C
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
169.147g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.268g/mol
Monoisotopic Mass:
169.147g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties