6-Oxoheptanoic acid
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6-Oxoheptanoic acid
structure -
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CAS No:
3128-07-2
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Formula:
C7H12O3
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Chemical Name:
6-Oxoheptanoic acid
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Synonyms:
Heptanoic acid,6-oxo-;6-Oxoheptanoic acid;6-Ketoheptanoic acid;ε-Oxoenanthic acid;Acetovaleric acid;6-Oxoenanthic acid;5-Acetylvaleric acid;ε-Ketoheptanoic acid;NSC 167591
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CAS No:
Characteristics
54.4
0.2
1.1±0.1 g/cm3
33 °C
166-167 °C @ Press: 9 Torr
>230 °F
1.444
soluble in water
Safety Information
III
8
UN 3261 8/PG 2
3
34
26-36/37/39-45
C
Corrosive
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Oxoheptanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Computed Properties
Molecular Weight:144.17
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:144.078644241
Monoisotopic Mass:144.078644241
Topological Polar Surface Area:54.4
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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