Home Nitriles 2-Formyl-5-methylbenzonitrile

2-Formyl-5-methylbenzonitrile

CAS No.:
27613-33-8
Catalog Number:
AG002U85
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$150
- +
250mg
95%
In Stock USA
United States
$238
- +
1g
95%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG002U85
Chemical Name:
2-Formyl-5-methylbenzonitrile
CAS Number:
27613-33-8
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD18394293
IUPAC Name:
2-formyl-5-methylbenzonitrile
InChI:
InChI=1S/C9H7NO/c1-7-2-3-8(6-11)9(4-7)5-10/h2-4,6H,1H3
InChI Key:
HQENAWFYEWLGTH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1C=O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties