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Home >> Chemical Listing >> Page 777 >> (3Z)-3-(Hydroxymethylene)-6-Oxo-1,4-Cyclohexadiene-1-Carbonitrile

(3Z)-3-(Hydroxymethylene)-6-Oxo-1,4-Cyclohexadiene-1-Carbonitrile
[CAS# 187151-99-1]

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Identification
Name (3Z)-3-(Hydroxymethylene)-6-Oxo-1,4-Cyclohexadiene-1-Carbonitrile
Synonyms (Z)-3-(hydroxymethylene)-6-oxocyclohexa-1,4-dienecarbonitrile
Molecular Structure CAS#: 187151-99-1, (3Z)-3-(Hydroxymethylene)-6-Oxo-1,4-Cyclohexadiene-1-Carbonitrile
Molecular Formula C8H5NO2
Molecular Weight 147.13
CAS Registry Number 187151-99-1
SMILES C\1=CC(=O)C(=C/C1=C\O)C#N
InChI 1S/C8H5NO2/c9-4-7-3-6(5-10)1-2-8(7)11/h1-3,5,10H/b6-5-
InChIKey PXPAVPSEXWFBLZ-WAYWQWQTSA-N
Properties
Density 1.331g/cm3 (Cal.)
Boiling point 268.703°C at 760 mmHg (Cal.)
Flash point 116.308°C (Cal.)
Refractive index 1.602 (Cal.)
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