(3R)-5-Ethoxy-3-methyl-5-oxopentanoic acid
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(3R)-5-Ethoxy-3-methyl-5-oxopentanoic acid
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CAS No:
72594-19-5
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Formula:
C8H14O4
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Chemical Name:
(3R)-5-Ethoxy-3-methyl-5-oxopentanoic acid
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Synonyms:
(R)-1-Ethyl hydrogen 3-methylglutarate; ethyl (R)-3-methylglutarate; (R)-Monoethyl 3-methylglutarate; ethyl hydrogen (R)-3-methylglutarate; ethyl 3-(R)-methylglutarate;
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CAS No:
(3R)-5-Ethoxy-3-methyl-5-oxopentanoic acid Basic Attributes
174.19400
174.08920892
DTXSID80455352
2918990090
Characteristics
63.60000
1.05040
1.076 g/mL at 20ºC(lit.)
74-76ºC/0.03 mmHg(lit.)
111.346ºC
n20/D 1.437
2-8ºC
Computed Properties
Molecular Weight:174.19
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:174.08920892
Monoisotopic Mass:174.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:164
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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