Home Nitriles 2-Benzofuranacetonitrile

2-Benzofuranacetonitrile

CAS No.:
95-28-3
Catalog Number:
AG005SFZ
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
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Product Description
Catalog Number:
AG005SFZ
Chemical Name:
2-Benzofuranacetonitrile
CAS Number:
95-28-3
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD00052739
IUPAC Name:
2-(1-benzofuran-2-yl)acetonitrile
InChI:
InChI=1S/C10H7NO/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5H2
InChI Key:
OPDLHQOQMQIFLC-UHFFFAOYSA-N
SMILES:
N#CCc1occ2c1cccc2
Properties
Complexity:
205  
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:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties