Home Nitriles Benzonitrile, 4-formyl-3,5-dimethyl-

Benzonitrile, 4-formyl-3,5-dimethyl-

CAS No.:
157870-16-1
Catalog Number:
AG001PRQ
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001PRQ
Chemical Name:
Benzonitrile, 4-formyl-3,5-dimethyl-
CAS Number:
157870-16-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD18826354
IUPAC Name:
4-formyl-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C10H9NO/c1-7-3-9(5-11)4-8(2)10(7)6-12/h3-4,6H,1-2H3
InChI Key:
AMPDZSUBLMJJHS-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1C)C#N
Properties
Complexity:
203  
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:
1.8  
Properties