α-(Hydroxymethylene)benzeneacetonitrile
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α-(Hydroxymethylene)benzeneacetonitrile
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CAS No:
22252-92-2
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Formula:
C9H7NO
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Chemical Name:
α-(Hydroxymethylene)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-(hydroxymethylene)-;Atroponitrile,β-hydroxy-;α-(Hydroxymethylene)benzeneacetonitrile;Phenylformylacetonitrile;3-Hydroxy-2-phenylacrylonitrile;NSC 17323;β-Hydroxy-α-phenylacrylonitrile
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CAS No:
Characteristics
44.02000
2.10908
1.164g/cm3
156-158 °C
280ºC at 760mmHg
123.2ºC
1.592
0.00185mmHg at 25°C
Computed Properties
Molecular Weight:145.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:44
Heavy Atom Count:11
Complexity:193
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of α-(Hydroxymethylene)benzeneacetonitrile
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