Home Nitriles Benzeneacetonitrile, a-formyl-4-methyl-

Benzeneacetonitrile, a-formyl-4-methyl-

CAS No.:
63726-65-8
Catalog Number:
AG01C4NQ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01C4NQ
Chemical Name:
Benzeneacetonitrile, a-formyl-4-methyl-
CAS Number:
63726-65-8
MDL Number:
MFCD13811199
IUPAC Name:
2-(4-methylphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5,7,10H,1H3
InChI Key:
JIAZTYNIDOHVSK-UHFFFAOYSA-N
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties