Home Nitriles 4-Acetyl-3-methylbenzonitrile

4-Acetyl-3-methylbenzonitrile

CAS No.:
496848-58-9
Catalog Number:
AG00DOAA
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (GC)
1 week
United States
$301
- +
5g
≥ 99% (GC)
1 week
United States
$1295
- +
Product Description
Catalog Number:
AG00DOAA
Chemical Name:
4-Acetyl-3-methylbenzonitrile
CAS Number:
496848-58-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11044851
IUPAC Name:
4-acetyl-3-methylbenzonitrile
InChI:
InChI=1S/C10H9NO/c1-7-5-9(6-11)3-4-10(7)8(2)12/h3-5H,1-2H3
InChI Key:
DTUONBOOEDSKPB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)C(=O)C
Properties
Complexity:
225  
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:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties