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Home > Pyridines > 203728-96-5
203728-96-5 | Pyrido[2,3-d]pyridazin-8(7H)-one, 5-(4-methylphenyl)-
CAS No: 203728-96-5 Catalog No: AG00293M MDL No:
Product Description
Catalog Number:
AG00293M
Chemical Name:
Pyrido[2,3-d]pyridazin-8(7H)-one, 5-(4-methylphenyl)-
CAS Number:
203728-96-5
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
5-(4-methylphenyl)-7H-pyrido[2,3-d]pyridazin-8-one
InChI:
InChI=1S/C14H11N3O/c1-9-4-6-10(7-5-9)12-11-3-2-8-15-13(11)14(18)17-16-12/h2-8H,1H3,(H,17,18)
InChI Key:
OSBICXVOOXXPPL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1n[nH]c(=O)c2c1cccn2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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