5-Hexynoic acid
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5-Hexynoic acid
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CAS No:
53293-00-8
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Formula:
C6H8O2
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Chemical Name:
5-Hexynoic acid
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Synonyms:
5-Hexynoic acid;5-Hexyn-1-oic acid;4-Ethynylbutyric acid;EC2-103
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CAS No:
Description
Hex-5-ynoic acid is a hexynoic acid in which the triple bond is between the carbons at positions 5 and 6. It is a hexynoic acid and a terminal acetylenic compound.
Safety Information
|Danger|H314 (21.57%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Hexynoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Computed Properties
Molecular Weight:112.13
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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