Home Nitriles 4-Methylbenzoylacetonitrile

4-Methylbenzoylacetonitrile

CAS No.:
7391-28-8
Catalog Number:
AG003LRE
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$24
- +
5g
98%
In Stock USA
United States
$69
- +
10g
98%
In Stock USA
United States
$120
- +
25g
98%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG003LRE
Chemical Name:
4-Methylbenzoylacetonitrile
CAS Number:
7391-28-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00067895
IUPAC Name:
3-(4-methylphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3
InChI Key:
AIECDYDQPCANJK-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)C
Properties
Complexity:
205  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties