Home Nitriles 4-(4-methylphenyl)oxane-4-carbonitrile

4-(4-methylphenyl)oxane-4-carbonitrile

CAS No.:
53986-10-0
Catalog Number:
AG00I9MU
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
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Product Description
Catalog Number:
AG00I9MU
Chemical Name:
4-(4-methylphenyl)oxane-4-carbonitrile
CAS Number:
53986-10-0
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD11546750
IUPAC Name:
4-(4-methylphenyl)oxane-4-carbonitrile
InChI:
InChI=1S/C13H15NO/c1-11-2-4-12(5-3-11)13(10-14)6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChI Key:
YOYKNEXALGUIJU-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)c1ccc(cc1)C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties