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Home > Pyridines > 1236409-67-8
1236409-67-8 | 1-(4-(2-CYANOPROPAN-2-YL)PHENYL)-4-HYDROXY-2-OXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
CAS No: 1236409-67-8 Catalog No: AG00HHDN MDL No:
Product Description
Catalog Number:
AG00HHDN
Chemical Name:
1-(4-(2-CYANOPROPAN-2-YL)PHENYL)-4-HYDROXY-2-OXO-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
CAS Number:
1236409-67-8
IUPAC Name:
1-[4-(2-cyanopropan-2-yl)phenyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonitrile
InChI:
InChI=1S/C16H15N3O2/c1-16(2,10-18)11-3-5-12(6-4-11)19-8-7-14(20)13(9-17)15(19)21/h3-6,20H,7-8H2,1-2H3
InChI Key:
QQQSDCIGUCQMJM-UHFFFAOYSA-N
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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