α-Cyanobenzeneacetic acid
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α-Cyanobenzeneacetic acid
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CAS No:
14025-79-7
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Formula:
C9H7NO2
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Chemical Name:
α-Cyanobenzeneacetic acid
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Synonyms:
Benzeneacetic acid,α-cyano-;Acetic acid,cyanophenyl-;α-Cyanobenzeneacetic acid;α-Phenylcyanoacetic acid;Phenylcyanoacetic acid;α-Cyanophenylacetic acid;Cyanophenylacetic acid;2-Cyano-2-phenylacetic acid;157521-05-6
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CAS No:
Characteristics
61.09000
1.37838
1.263g/cm3
74 °C
309.9ºC at 760mmHg
141.2ºC
1.571
0.000267mmHg at 25°C
Computed Properties
Molecular Weight:161.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:210
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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