Benzonitrile, 4-(3-oxopropyl)-


Chemical Name: Benzonitrile, 4-(3-oxopropyl)-
CAS Number: 136295-53-9
Product Number: AG009G9N(AGN-PC-0NGO4T)
Synonyms:
MDL No:
Molecular Formula: C10H9NO
Molecular Weight: 159.1846

Identification/Properties


Computed Properties
Molecular Weight:
159.188g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
159.068g/mol
Monoisotopic Mass:
159.068g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
183
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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