Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate
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Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate
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CAS No:
1902-03-0
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Formula:
C12H22O3
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Chemical Name:
Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate
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Synonyms:
Hexanoic acid,5-methyl-2-(1-methylethyl)-3-oxo-,ethyl ester;Hexanoic acid,2-isopropyl-5-methyl-3-oxo-,ethyl ester;Isoenanthic acid,α-isopropyl-β-oxo-,ethyl ester;Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate;NSC 422;2-Isopropyl-5-methyl-3-oxo-hexanoic acid ethyl ester
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CAS No:
Ethyl 5-methyl-2-(1-methylethyl)-3-oxohexanoate Basic Attributes
214.30100
214.30
422
DTXSID30277026
Characteristics
43.37000
2.43690
0.9284 g/cm3 @ Temp: 20 °C
128-133 °C @ Press: 32 Torr
96.1ºC
1.432
0.0315mmHg at 25°C
Computed Properties
Molecular Weight:214.30
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:214.15689456
Monoisotopic Mass:214.15689456
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:219
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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