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Phenylglyoxal monohydrate	Predict NMR spectrum	RN:  1074-12-0 MF:  C8H6O2.H2O MW:  152.14972 bp (°C):  142  (p=125 torr) mp (°C):  71  - 76
InChI:  1S/C8H6O2.H2O/c9-6-8(10)7-4-2-1-3-5-7;/h1-6H;1H2 InChIKey:  YQBLQKZERMAVDO-UHFFFAOYSA-N	H donor:  1 H acceptor:  3 Rotatable bond:  2 Stereocenter:  0	cLogP:  0.955 cLogS:  -2.008 Polar surface:  43.37
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