Home Nitriles 2-(prop-2-yn-1-yloxy)benzonitrile

2-(prop-2-yn-1-yloxy)benzonitrile

CAS No.:
65211-56-5
Catalog Number:
AG01ABH5
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
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Product Description
Catalog Number:
AG01ABH5
Chemical Name:
2-(prop-2-yn-1-yloxy)benzonitrile
CAS Number:
65211-56-5
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD09933306
IUPAC Name:
2-prop-2-ynoxybenzonitrile
InChI:
InChI=1S/C10H7NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h1,3-6H,7H2
InChI Key:
NUSJHOMNCFIHFI-UHFFFAOYSA-N
SMILES:
C#CCOc1ccccc1C#N
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties