Hexyl ketone
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Hexyl ketone
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CAS No:
462-18-0
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Formula:
C13H26O
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Chemical Name:
Hexyl ketone
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Synonyms:
7-Tridecanone;Dihexyl ketone;Enanthone;Hexyl ketone;Di-n-hexyl ketone;NSC 77941
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CAS No:
Characteristics
17.1
4.49630
0.825 g/mL at 25 °C(lit.)
33 °C
261 °C
>230 °F
1.431
0.01 mmHg
LDLo ivn-mus: 3511 mg/kg APTOA6 37,56,75
Computed Properties
Molecular Weight:198.34
XLogP3:4.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:10
Exact Mass:198.198365449
Monoisotopic Mass:198.198365449
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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