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Valeronitrile supplier Valeronitrile China Valeronitrile 99.5 % min
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1. Introduction of Valeronitrile
The Valeronitrile, with its CAS NO 110-59-8, is a kind of powder or liquid. It has synonyms of 1-Butyl cyanide;1-Cyanobutane;Butane, 1-cyano-;Butyl cyanide;n-Butyl cyanide;n-Pentanenitrile;n-Valeronitrile and Pentanenitrile.
2. Properties of Valeronitrile
Molecular Weight 83.13166 [g/mol]
Molecular Formula C5H9N
XLogP3 1.1
H-Bond Acceptor 1
Rotatable Bond Count 2
Exact Mass 83.073499
MonoIsotopic Mass 83.073499
Topological Polar Surface Area 23.8
Heavy Atom Count 6
Complexity 57.6
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 1
Feature 3D Hydrophobe Count 1
Effective Rotor Count 2
Conformer Sampling RMSD 0.4
CID Conformer Count 8
3. Structure descriptors of Valeronitrile
IUPAC Name: pentanenitrile
InChI: InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
InChIKey: RFFFKMOABOFIDF-UHFFFAOYSA-NCanonical SMILES : CCCCC#N
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