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1803594-50-4 | 2H,3H,5H,6H,7H,8H-pyrido[3,2-c]pyridazin-3-one hydrochloride
CAS No: 1803594-50-4 Catalog No: AG01BD9B MDL No:MFCD28012440
Product Description
Catalog Number:
AG01BD9B
Chemical Name:
2H,3H,5H,6H,7H,8H-pyrido[3,2-c]pyridazin-3-one hydrochloride
CAS Number:
1803594-50-4
Molecular Formula:
C7H10ClN3O
Molecular Weight:
187.6268
MDL Number:
MFCD28012440
IUPAC Name:
5,6,7,8-tetrahydro-2H-pyrido[3,2-c]pyridazin-3-one;hydrochloride
InChI:
InChI=1S/C7H9N3O.ClH/c11-7-4-6-5(9-10-7)2-1-3-8-6;/h4,8H,1-3H2,(H,10,11);1H
InChI Key:
WXYFSXOFHNUEJK-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2c(c1)NCCC2.Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.627g/mol
Monoisotopic Mass:
187.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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