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116705-51-2 | 4H-Pyran-3-carbonitrile, 2-amino-4,6-diphenyl-
CAS No: 116705-51-2 Catalog No: AG000D0C MDL No:
Product Description
Catalog Number:
AG000D0C
Chemical Name:
4H-Pyran-3-carbonitrile, 2-amino-4,6-diphenyl-
CAS Number:
116705-51-2
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
InChI:
InChI=1S/C18H14N2O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21-18(16)20)14-9-5-2-6-10-14/h1-11,15H,20H2
InChI Key:
FYEJDTQNJAYRKJ-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)OC(=CC1c1ccccc1)c1ccccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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