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66799-57-3 | 4,5-DIHYDRO-1H-PYRAZOLO[4',3':3,4]PYRIDO[2,1-A]ISOINDOLE-1,7(2H)-DIONE
CAS No: 66799-57-3 Catalog No: AG006R0F MDL No:
Product Description
Catalog Number:
AG006R0F
Chemical Name:
4,5-DIHYDRO-1H-PYRAZOLO[4',3':3,4]PYRIDO[2,1-A]ISOINDOLE-1,7(2H)-DIONE
CAS Number:
66799-57-3
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
10-hydroxy-4,5,9-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(16),2(6),4,10,12,14-hexaen-3-one
InChI:
InChI=1S/C13H9N3O2/c17-12-10-9(14-15-12)5-6-16-11(10)7-3-1-2-4-8(7)13(16)18/h1-4,18H,5-6H2
InChI Key:
GOSZMUKZLYAKJV-UHFFFAOYSA-N
SMILES:
O=C1NN=C2C1=C1c3ccccc3C(=O)N1CC2
UNII:
JKE3T5ATM7
NSC Number:
335048
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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