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Home > Pyridines > 912569-54-1
912569-54-1 | Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]-
CAS No: 912569-54-1 Catalog No: AG003U28 MDL No:
Product Description
Catalog Number:
AG003U28
Chemical Name:
Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]-
CAS Number:
912569-54-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
5-isocyanato-2-(oxan-4-yloxy)pyridine
InChI:
InChI=1S/C11H12N2O3/c14-8-13-9-1-2-11(12-7-9)16-10-3-5-15-6-4-10/h1-2,7,10H,3-6H2
InChI Key:
CURMCGRWRMOXFY-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(nc1)OC1CCOCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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