2-ethyl-1-oxoisoquinoline-3-carboxylic acid
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2-ethyl-1-oxoisoquinoline-3-carboxylic acid
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CAS No:
500786-62-9
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Formula:
C12H11NO3
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Chemical Name:
2-ethyl-1-oxoisoquinoline-3-carboxylic acid
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Synonyms:
500786-62-9;3-isoquinolinecarboxylic acid,2-ethyl-1,2-dihydro-1-oxo-;NSC404017;ZINC1596271;NSC-404017;2-ethyl-1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid
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CAS No:
Computed Properties
Molecular Weight:217.22
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:217.07389321
Monoisotopic Mass:217.07389321
Topological Polar Surface Area:57.6
Heavy Atom Count:16
Complexity:348
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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