Benzoicacid,4-(2-cyanoacetyl)-
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Benzoicacid,4-(2-cyanoacetyl)-
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CAS No:
122545-30-6
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Formula:
C10H7NO3
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Chemical Name:
Benzoicacid,4-(2-cyanoacetyl)-
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Synonyms:
Benzoic acid, 4-(2-cyanoacetyl)-;4-cyanoacetyl-benzoic acid
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CAS No:
Characteristics
78.16000
1.48118
1.319±0.06 g/cm3
230-232 °C (decomp)(Solv: ethanol (64-17-5))
454.7±30.0 °C(Predicted)
3.66±0.10
Computed Properties
Molecular Weight:189.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:189.042593085
Monoisotopic Mass:189.042593085
Topological Polar Surface Area:78.2
Heavy Atom Count:14
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of Benzoicacid,4-(2-cyanoacetyl)-
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