Thiocyanic acid, hexyl ester


Chemical Name: Thiocyanic acid, hexyl ester
CAS Number: 6803-40-3
Product Number: AG00FUVR(AGN-PC-0JLT4K)
Synonyms:
MDL No:
Molecular Formula: C7H13NS
Molecular Weight: 143.24982

Identification/Properties


Computed Properties
Molecular Weight:
143.248g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
143.077g/mol
Monoisotopic Mass:
143.077g/mol
Topological Polar Surface Area:
49.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
92.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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