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82226-41-3 | 5-(1-PIPERIDINYL)-3(2H)-PYRIDAZINONE
CAS No: 82226-41-3 Catalog No: AG0050D1 MDL No:MFCD10686618
Product Description
Catalog Number:
AG0050D1
Chemical Name:
5-(1-PIPERIDINYL)-3(2H)-PYRIDAZINONE
CAS Number:
82226-41-3
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD10686618
IUPAC Name:
4-piperidin-1-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C9H13N3O/c13-9-6-8(7-10-11-9)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,11,13)
InChI Key:
VGVCCVAWCOYWTI-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc(c1)N1CCCCC1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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