ETHYL 6-(TERT-BUTYL)-3-CYANO-2-HYDROXYISONICOTINATE
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ETHYL 6-(TERT-BUTYL)-3-CYANO-2-HYDROXYISONICOTINATE
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CAS No:
100616-09-9
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Formula:
C13H16N2O3
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Chemical Name:
ETHYL 6-(TERT-BUTYL)-3-CYANO-2-HYDROXYISONICOTINATE
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Synonyms:
Ethyl 6-(tert-butyl)-3-cyano-2-hydroxyisonicotinate;4-Pyridinecarboxylicacid, 3-cyano-6-(1, 1-dimethylethyl)-1, 2-dihydro-2-oxo-, ethyl ester;Maybridge1_006058;ethyl 6-tert-butyl-3-cyano-2-hydroxyisonicotinate;ACMC-20agbk;Oprea1_150543;CTK3J9132;HMS558L08;DTXSID80381849;ZINC8648834
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CAS No:
ETHYL 6-(TERT-BUTYL)-3-CYANO-2-HYDROXYISONICOTINATE Basic Attributes
248.28
248.11600
DTXSID80381849
2933399090
Computed Properties
Molecular Weight:248.28
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:248.11609238
Monoisotopic Mass:248.11609238
Topological Polar Surface Area:79.2
Heavy Atom Count:18
Complexity:498
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ETHYL 6-(TERT-BUTYL)-3-CYANO-2-HYDROXYISONICOTINATE
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