Benzonitrile, 3-acetyl-


Chemical Name: Benzonitrile, 3-acetyl-
CAS Number: 6136-68-1
Product Number: AG003ITF(AGN-PC-0JLSIO)
Synonyms:
MDL No:
Molecular Formula: C9H7NO
Molecular Weight: 145.1580

Identification/Properties


Properties
MP:
98-100 °C(lit.)
BP:
267.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4500 (estimate)
Solubility:
4g/l
Computed Properties
Molecular Weight:
145.161g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
145.053g/mol
Monoisotopic Mass:
145.053g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
201
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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