Home Nitriles 3-Oxo-3-(m-tolyl)propanenitrile

3-Oxo-3-(m-tolyl)propanenitrile

CAS No.:
53882-81-8
Catalog Number:
AG003JQR
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$248
- +
5g
1 week
United States
$821
- +
10g
1 week
United States
$1317
- +
25g
1 week
United States
$2284
- +
Product Description
Catalog Number:
AG003JQR
Chemical Name:
3-Oxo-3-(m-tolyl)propanenitrile
CAS Number:
53882-81-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00067922
IUPAC Name:
3-(3-methylphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3
InChI Key:
IVLKDYOTZMFMLO-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccc(c1)C
Properties
Complexity:
213  
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:
1.9  
Properties