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857651-06-0 | 4-hydroxy-4-(5-(pyrimidin-2-yl)pyridine-2-yl) cyclohexanone
CAS No: 857651-06-0 Catalog No: AG00GABQ MDL No:MFCD28902272
Product Description
Catalog Number:
AG00GABQ
Chemical Name:
4-hydroxy-4-(5-(pyrimidin-2-yl)pyridine-2-yl) cyclohexanone
CAS Number:
857651-06-0
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
MDL Number:
MFCD28902272
IUPAC Name:
4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexan-1-one
InChI:
InChI=1S/C15H15N3O2/c19-12-4-6-15(20,7-5-12)13-3-2-11(10-18-13)14-16-8-1-9-17-14/h1-3,8-10,20H,4-7H2
InChI Key:
SCFKTBHPKNQOBT-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(O)c1ccc(cn1)c1ncccn1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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