Home Other Building Blocks 2-M-TOLYLPROPANENITRILE

2-M-TOLYLPROPANENITRILE

CAS No.:
75920-44-4
Catalog Number:
AG01EJR8
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
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Product Description
Catalog Number:
AG01EJR8
Chemical Name:
2-M-TOLYLPROPANENITRILE
CAS Number:
75920-44-4
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD11036538
IUPAC Name:
2-(3-methylphenyl)propanenitrile
InChI:
InChI=1S/C10H11N/c1-8-4-3-5-10(6-8)9(2)7-11/h3-6,9H,1-2H3
InChI Key:
RMGYNPBCMHKZCJ-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)C)C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties