Home Carboxys 1-[4-(benzyloxy)phenyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

1-[4-(benzyloxy)phenyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

CAS No.:
2146079-62-9
Catalog Number:
AG01EKSH
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
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Product Description
Catalog Number:
AG01EKSH
Chemical Name:
1-[4-(benzyloxy)phenyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CAS Number:
2146079-62-9
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
MDL Number:
MFCD31665398
IUPAC Name:
6-oxo-1-(4-phenylmethoxyphenyl)-4,5-dihydropyridazine-3-carboxylic acid
InChI:
InChI=1S/C18H16N2O4/c21-17-11-10-16(18(22)23)19-20(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,23)
InChI Key:
NERXQFIXOGBUAF-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NN(C(=O)CC1)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties