Benzoicacid,3-amino-2-cyano-,methylester
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Benzoicacid,3-amino-2-cyano-,methylester
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CAS No:
77326-43-3
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Formula:
C9H8N2O2
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Chemical Name:
Benzoicacid,3-amino-2-cyano-,methylester
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Synonyms:
Benzoic acid, 3-amino-2-cyano-, methyl ester;methyl 3-amino-2-cyanobenzoate
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CAS No:
Characteristics
76.11000
1.50828
1.26±0.1 g/cm3
107-109 °C(Solv: benzene (71-43-2); hexane (110-54-3))
384.5±32.0 °C(Predicted)
0.67±0.10
Computed Properties
Molecular Weight:176.17
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:176.058577502
Monoisotopic Mass:176.058577502
Topological Polar Surface Area:76.1
Heavy Atom Count:13
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of Benzoicacid,3-amino-2-cyano-,methylester
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