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56563-33-8

56563-33-8 | 4-Methyl-1-phenyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one

CAS No: 56563-33-8 Catalog No: AG01ARWR MDL No:MFCD11986550

Product Description

Catalog Number:
AG01ARWR
Chemical Name:
4-Methyl-1-phenyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CAS Number:
56563-33-8
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
MDL Number:
MFCD11986550
IUPAC Name:
4-methyl-1-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C12H10N4O/c1-8-10-7-13-16(9-5-3-2-4-6-9)11(10)12(17)15-14-8/h2-7H,1H3,(H,15,17)
InChI Key:
QRGZOYXSZJBBRC-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1n(nc2)c1ccccc1)C

Properties

Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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