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26510-56-5 | 6,11-Epoxy-1H-pleiadeno[3,4-cd]pyridine-1,3(2H)-dione (9CI)
CAS No: 26510-56-5 Catalog No: AG002TIF MDL No:
Product Description
Catalog Number:
AG002TIF
Chemical Name:
6,11-Epoxy-1H-pleiadeno[3,4-cd]pyridine-1,3(2H)-dione (9CI)
CAS Number:
26510-56-5
Molecular Formula:
C20H9NO3
Molecular Weight:
311.2904
IUPAC Name:
22-oxa-15-azahexacyclo[11.6.2.12,9.03,8.010,20.017,21]docosa-1(20),2,4,6,8,10,12,17(21),18-nonaene-14,16-dione
InChI:
InChI=1S/C20H9NO3/c22-19-13-7-5-11-15-12(6-8-14(16(13)15)20(23)21-19)18-10-4-2-1-3-9(10)17(11)24-18/h1-8H,(H,21,22,23)
InChI Key:
IMUXNPQYCOHIFX-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)c2oc1c1c2cccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.058g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.296g/mol
Monoisotopic Mass:
311.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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