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26510-55-4 | 1H-Pleiadeno[3,4-cd]pyridine-1,3(2H)-dione (9CI)
CAS No: 26510-55-4 Catalog No: AG002TIG MDL No:
Product Description
Catalog Number:
AG002TIG
Chemical Name:
1H-Pleiadeno[3,4-cd]pyridine-1,3(2H)-dione (9CI)
CAS Number:
26510-55-4
Molecular Formula:
C20H11NO2
Molecular Weight:
297.3068
IUPAC Name:
15-azapentacyclo[11.6.2.03,8.010,20.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene-14,16-dione
InChI:
InChI=1S/C20H11NO2/c22-19-15-7-5-13-9-11-3-1-2-4-12(11)10-14-6-8-16(20(23)21-19)18(15)17(13)14/h1-10H,(H,21,22,23)
InChI Key:
UJNXGFLQMWQIJK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)C=c2c(=C1)cccc2
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.313g/mol
Monoisotopic Mass:
297.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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