Home Nitriles 3-(4-methylphenyl)prop-2-ynenitrile

3-(4-methylphenyl)prop-2-ynenitrile

CAS No.:
151589-34-3
Catalog Number:
AG01BIFC
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BIFC
Chemical Name:
3-(4-methylphenyl)prop-2-ynenitrile
CAS Number:
151589-34-3
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
MDL Number:
MFCD25959321
IUPAC Name:
3-(4-methylphenyl)prop-2-ynenitrile
InChI:
InChI=1S/C10H7N/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,1H3
InChI Key:
HWKYFBPVNPVQRL-UHFFFAOYSA-N
SMILES:
N#CC#Cc1ccc(cc1)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.173g/mol
Monoisotopic Mass:
141.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties