3-Oxooctanoic acid
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3-Oxooctanoic acid
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CAS No:
13283-91-5
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Formula:
C8H14O3
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Chemical Name:
3-Oxooctanoic acid
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Synonyms:
Octanoic acid,3-oxo-;Caprylic acid,β-oxo-;3-Oxooctanoic acid;β-Oxooctanoic acid;3-Ketooctanoic acid;β-Ketooctanoic acid;3-Oxocaprylic acid;Hexanoylacetic acid
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CAS No:
Description
Solid
3-oxooctanoic acid is a derivative of octanoic acid carrying a beta-oxo group; a possible metabolite of 2-octynoic acid. It derives from an octanoic acid.
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Oxooctanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Computed Properties
Molecular Weight:158.19
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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