3-(2-chlorophenyl)-2-cyanopropanoic acid
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3-(2-chlorophenyl)-2-cyanopropanoic acid
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CAS No:
14650-19-2
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Formula:
C10H8ClNO2
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Chemical Name:
3-(2-chlorophenyl)-2-cyanopropanoic acid
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Synonyms:
3-(2-chlorophenyl)-2-cyanopropanoic acid;3-(2-CHLOROPHENYL)-2-CYANOPROPIONIC ACID;2-(o-chlorobenzyl)cyanoacetic acid;NSC157430;SCHEMBL10335461;CTK4C4987;DTXSID60303226;MFCD00021688;AKOS022221694;MCULE-1601603034
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CAS No:
Characteristics
61.1
2.3
1.347±0.06 g/cm3(Predicted)
132-134 °C
387.5±32.0 °C(Predicted)
188.1ºC
1.574
1.07E-06mmHg at 25°C
Safety Information
P264, P270, P301+P310, P321, P330, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:209.63
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:209.0243562
Monoisotopic Mass:209.0243562
Topological Polar Surface Area:61.1
Heavy Atom Count:14
Complexity:258
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(2-chlorophenyl)-2-cyanopropanoic acid
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