Home Nitriles Benzonitrile,4-[(tetrahydro-2H-pyran-4-yl)oxy]-

Benzonitrile,4-[(tetrahydro-2H-pyran-4-yl)oxy]-

CAS No.:
884507-34-0
Catalog Number:
AG004INV
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG004INV
Chemical Name:
Benzonitrile,4-[(tetrahydro-2H-pyran-4-yl)oxy]-
CAS Number:
884507-34-0
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD09025875
IUPAC Name:
4-(oxan-4-yloxy)benzonitrile
InChI:
InChI=1S/C12H13NO2/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12H,5-8H2
InChI Key:
ITXQSYHCKPGZLV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OC1CCOCC1
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties