2-(3,4-dihydroxyphenyl)-2-hydroxyacetonitrile
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2-(3,4-dihydroxyphenyl)-2-hydroxyacetonitrile
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CAS No:
51688-49-4
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Formula:
C8H7NO3
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Chemical Name:
2-(3,4-dihydroxyphenyl)-2-hydroxyacetonitrile
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Synonyms:
3,4-dihydroxymandelonitrile;3,4-Dihydroxymandelonitrile;51688-49-4;AKOS009471131;Benzeneacetonitrile, alpha,3,4-trihydroxy-;C03757;AC1L98P1;2-(3,4-dihydroxyphenyl)-2-hydroxyacetonitrile;SCHEMBL891506;CHEMBL3546298;DTXSID40965962;(3,4-Dihydroxyphenyl)(hydroxy)acetonitrile;2-(3,4-dihydroxyphenyl)-2-hydroxy-acetonitrile
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CAS No:
Computed Properties
Molecular Weight:165.15
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:165.042593085
Monoisotopic Mass:165.042593085
Topological Polar Surface Area:84.5
Heavy Atom Count:12
Complexity:198
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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