methyl 1-cyano-1H-isoquinoline-2-carboxylate
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methyl 1-cyano-1H-isoquinoline-2-carboxylate
structure -
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CAS No:
17954-40-4
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Formula:
C12H10N2O2
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Chemical Name:
methyl 1-cyano-1H-isoquinoline-2-carboxylate
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Synonyms:
17954-40-4;methyl 1-cyanoisoquinoline-2(1h)-carboxylate;NSC149010;DTXSID50302147;NSC-149010;1,2-dihydro-2-methoxycarbonylisoquinoline-1-carbonitrile;1-Cyano-1,2-dihydroisoquinoline-2-carboxylic acid methyl ester
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CAS No:
methyl 1-cyano-1H-isoquinoline-2-carboxylate Basic Attributes
214.22 g/mol
214.074227566 g/mol
149010
DTXSID50302147
Computed Properties
Molecular Weight:214.22
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:214.074227566
Monoisotopic Mass:214.074227566
Topological Polar Surface Area:53.3
Heavy Atom Count:16
Complexity:355
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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