2-N-HEXYL-4-PENTYNOICACID
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2-N-HEXYL-4-PENTYNOICACID
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CAS No:
96017-59-3
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Formula:
C11H18O2
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Chemical Name:
2-N-HEXYL-4-PENTYNOICACID
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Synonyms:
2-(2-PROPYNYL)OCTANOIC ACID;2-N-HEXYL-4-PENTYNOIC ACID;2-PROPARGYLOCTANOIC ACID;2-Hexyl-4-pentynoic Acid;2-(Prop-2-yn-1-yl)octanoic acid;2-Propargyloctanoic Acid 2-(2-Propynyl)octanoic Acid;Hexyl-4-pentynoic acid (HPA);R-2-(2-propynyl)octanoic acid
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CAS No:
Safety Information
22
Xn
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:182.26
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:182.130679813
Monoisotopic Mass:182.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:188
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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