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14714-33-1 | Acetamide, N-[3-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenyl]-
CAS No: 14714-33-1 Catalog No: AG001ENO MDL No:
Product Description
Catalog Number:
AG001ENO
Chemical Name:
Acetamide, N-[3-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenyl]-
CAS Number:
14714-33-1
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
N-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
InChI:
InChI=1S/C12H13N3O2/c1-8(16)13-10-4-2-3-9(7-10)11-5-6-12(17)15-14-11/h2-4,7H,5-6H2,1H3,(H,13,16)(H,15,17)
InChI Key:
HTNLRJRCYWLDHJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)C1=NNC(=O)CC1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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