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Home > Pyridines > 208936-44-1
208936-44-1 | 2(1H)-Pyrimidinone, 6-(4-pyridinyl)-
CAS No: 208936-44-1 Catalog No: AG002JYE MDL No:
Product Description
Catalog Number:
AG002JYE
Chemical Name:
2(1H)-Pyrimidinone, 6-(4-pyridinyl)-
CAS Number:
208936-44-1
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
IUPAC Name:
6-pyridin-4-yl-1H-pyrimidin-2-one
InChI:
InChI=1S/C9H7N3O/c13-9-11-6-3-8(12-9)7-1-4-10-5-2-7/h1-6H,(H,11,12,13)
InChI Key:
ZEBJIACQDLVAJA-UHFFFAOYSA-N
SMILES:
O=c1nccc([nH]1)c1ccncc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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