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163398-03-6 | Selenocyanic acid, pentyl ester
CAS No: 163398-03-6 Catalog No: AG001U2Q MDL No:
Product Description
Catalog Number:
AG001U2Q
Chemical Name:
Selenocyanic acid, pentyl ester
CAS Number:
163398-03-6
Molecular Formula:
C6H11NSe
Molecular Weight:
176.1182
IUPAC Name:
pentyl selenocyanate
InChI:
InChI=1S/C6H11NSe/c1-2-3-4-5-8-6-7/h2-5H2,1H3
InChI Key:
CECRYZRJRPIGMC-UHFFFAOYSA-N
SMILES:
CCCCC[Se]C#N
Properties
Complexity:
81.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.132g/mol
Monoisotopic Mass:
177.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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