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89391-28-6 | Pyrano[2,3-c]pyrazole-3,4-dione, 6-amino-1,2-dihydro-2-phenyl-
CAS No: 89391-28-6 Catalog No: AG003WB7 MDL No:
Product Description
Catalog Number:
AG003WB7
Chemical Name:
Pyrano[2,3-c]pyrazole-3,4-dione, 6-amino-1,2-dihydro-2-phenyl-
CAS Number:
89391-28-6
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
6-amino-2-phenyl-1H-pyrano[2,3-c]pyrazole-3,4-dione
InChI:
InChI=1S/C12H9N3O3/c13-9-6-8(16)10-11(18-9)14-15(12(10)17)7-4-2-1-3-5-7/h1-6,14H,13H2
InChI Key:
KZDCTYAFRDXTAC-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)c2c(o1)[nH]n(c2=O)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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