3-(2-Nitrophenyl)-2-oxopropanoic acid
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3-(2-Nitrophenyl)-2-oxopropanoic acid
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CAS No:
5461-32-5
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Formula:
C9H7NO5
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Chemical Name:
3-(2-Nitrophenyl)-2-oxopropanoic acid
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Synonyms:
Benzenepropanoic acid,2-nitro-α-oxo-;Pyruvic acid,(o-nitrophenyl)-;2-Nitro-α-oxobenzenepropanoic acid;(o-Nitrophenyl)pyruvic acid;(2-Nitrophenyl)pyruvic acid;3-(2-Nitrophenyl)-2-oxopropanoic acid;NSC 5598;182366-96-7
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CAS No:
3-(2-Nitrophenyl)-2-oxopropanoic acid Basic Attributes
209.156
209.16
226-746-9
5598
DTXSID70203041
2918300090
Characteristics
100.19000
0.27
1.5±0.1 g/cm3
119-120 °C
379.7±25.0 °C at 760 mmHg
168.6±11.6 °C
1.598
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:209.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:209.03242232
Monoisotopic Mass:209.03242232
Topological Polar Surface Area:100
Heavy Atom Count:15
Complexity:283
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(2-Nitrophenyl)-2-oxopropanoic acid
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