Hexanoic acid, 3-oxo-, methyl ester
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Hexanoic acid, 3-oxo-, methyl ester
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CAS No:
30414-54-1
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Formula:
C7H12O3
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Chemical Name:
Hexanoic acid, 3-oxo-, methyl ester
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Synonyms:
Hexanoic acid,3-oxo-,methyl ester;Caproic acid,β-oxo-,methyl ester;Methyl 3-oxohexanoate;Methyl 3-oxocaproate;Methyl butyrylacetate;Methyl 3-ketohexanoate;3-Oxohexanoic acid methyl ester
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CAS No:
Hexanoic acid, 3-oxo-, methyl ester Basic Attributes
144.17
144.17
636165
250-185-9
DTXSID90184500
2918300090
Safety Information
3
24/25
|Warning|H227 (50%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:144.17
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:144.078644241
Monoisotopic Mass:144.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Hexanoic acid, 3-oxo-, methyl ester
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