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27797-88-2 | 5H-Pyrrolo[3',4':3,4]cyclobuta[1,2-c]quinoline-6,7,9(8H)-trione
CAS No: 27797-88-2 Catalog No: AG002US3 MDL No:
Product Description
Catalog Number:
AG002US3
Chemical Name:
5H-Pyrrolo[3',4':3,4]cyclobuta[1,2-c]quinoline-6,7,9(8H)-trione
CAS Number:
27797-88-2
Molecular Formula:
C13H6N2O3
Molecular Weight:
238.1983
IUPAC Name:
8,13-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaene-9,12,14-trione
InChI:
InChI=1S/C13H6N2O3/c16-11-8-7(5-3-1-2-4-6(5)14-11)9-10(8)13(18)15-12(9)17/h1-4H,(H,14,16)(H,15,17,18)
InChI Key:
OPUWMOIPQRIJBF-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c2c1c1=c2c(=O)[nH]c1=O
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.202g/mol
Monoisotopic Mass:
238.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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