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1881293-15-7 | 3-(6-oxo-3-(pyridin-3-yl)pyridazin-1(6H)-yl)propanoic acid hydrochloride
CAS No: 1881293-15-7 Catalog No: AG01FLZ7 MDL No:MFCD29764121
Product Description
Catalog Number:
AG01FLZ7
Chemical Name:
3-(6-oxo-3-(pyridin-3-yl)pyridazin-1(6H)-yl)propanoic acid hydrochloride
CAS Number:
1881293-15-7
Molecular Formula:
C12H12ClN3O3
Molecular Weight:
281.6950
MDL Number:
MFCD29764121
IUPAC Name:
3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C12H11N3O3.ClH/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18;/h1-4,6,8H,5,7H2,(H,17,18);1H
InChI Key:
KGZYWYHWBPFKBA-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1nc(ccc1=O)c1cccnc1.Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.696g/mol
Monoisotopic Mass:
281.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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