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88259-90-9 | Propanamide, N-(1,6-dihydro-6-oxo-3-pyridazinyl)-N-(1-methylpropyl)-
CAS No: 88259-90-9 Catalog No: AG004APG MDL No:
Product Description
Catalog Number:
AG004APG
Chemical Name:
Propanamide, N-(1,6-dihydro-6-oxo-3-pyridazinyl)-N-(1-methylpropyl)-
CAS Number:
88259-90-9
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
IUPAC Name:
N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)propanamide
InChI:
InChI=1S/C11H17N3O2/c1-4-8(3)14(11(16)5-2)9-6-7-10(15)13-12-9/h6-8H,4-5H2,1-3H3,(H,13,15)
InChI Key:
CIWZCMJQBUVGBP-UHFFFAOYSA-N
SMILES:
CCC(N(c1ccc(=O)[nH]n1)C(=O)CC)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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