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52210-90-9 | 1-(pyridin-4-yl)imidazolidin-2-one
CAS No: 52210-90-9 Catalog No: AG00IX6K MDL No:MFCD05670705
Product Description
Catalog Number:
AG00IX6K
Chemical Name:
1-(pyridin-4-yl)imidazolidin-2-one
CAS Number:
52210-90-9
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD05670705
IUPAC Name:
1-pyridin-4-ylimidazolidin-2-one
InChI:
InChI=1S/C8H9N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
InChI Key:
HKCFTGZESMCKJA-UHFFFAOYSA-N
SMILES:
O=C1NCCN1c1ccncc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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