Home Nitriles Benzonitrile, 3-(2-propynyloxy)- (9CI)

Benzonitrile, 3-(2-propynyloxy)- (9CI)

CAS No.:
237748-26-4
Catalog Number:
AG00BLU2
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
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Product Description
Catalog Number:
AG00BLU2
Chemical Name:
Benzonitrile, 3-(2-propynyloxy)- (9CI)
CAS Number:
237748-26-4
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD09936976
IUPAC Name:
3-prop-2-ynoxybenzonitrile
InChI:
InChI=1S/C10H7NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7H,6H2
InChI Key:
HROAIHLPIWAREZ-UHFFFAOYSA-N
SMILES:
C#CCOc1cccc(c1)C#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:
1.5  
Properties