2-NITROPHENYLPROPIOLIC ACID
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2-NITROPHENYLPROPIOLIC ACID
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CAS No:
530-85-8
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Formula:
C9H5NO4
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Chemical Name:
2-NITROPHENYLPROPIOLIC ACID
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Synonyms:
3-(2-nitrophenyl)prop-2-ynoic acid;3-(2-nitrophenyl)propiolic acid;3-{2-nitrophenyl}-2-propynoic acid;2-NITROPHENYLPROPIOLIC ACID;o-Nitrophenylpropiolic acid
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CAS No:
Description
Yellow to brown crystals. Partially soluble in hot water and alcohol; insoluble in carbon disulfide.
Digest the acid with boiling CHCl3, then crystallise it from H2O. The amide has m 159o (plates, from H2O). [Schofield & Simpson J Chem Soc 516 1945, Beilstein 9 H 636, 9 I 267, 9 II 438, 9 III 3067, 9 IV 2330.]
Characteristics
83.12000
1.55410
1.4625 (rough estimate)
~157° with decompn
326.87°C (rough estimate)
182.5ºC
1.4500 (estimate)
1.52±0.10(Predicted)
Computed Properties
Molecular Weight:191.14
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.02185764
Monoisotopic Mass:191.02185764
Topological Polar Surface Area:83.1
Heavy Atom Count:14
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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