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30429-28-8 | 1H-Benzo[h]difuro[3,4-a:3',4'-c]quinolizine-1,3,4,6(3aH)-tetrone
CAS No: 30429-28-8 Catalog No: AG003039 MDL No:
Product Description
Catalog Number:
AG003039
Chemical Name:
1H-Benzo[h]difuro[3,4-a:3',4'-c]quinolizine-1,3,4,6(3aH)-tetrone
CAS Number:
30429-28-8
Molecular Formula:
C17H7NO6
Molecular Weight:
321.2406
IUPAC Name:
4,9-dioxa-1-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-2(6),11,13,15,17,19-hexaene-3,5,8,10-tetrone
InChI:
InChI=1S/C17H7NO6/c19-14-9-10(15(20)23-14)12-8-4-2-1-3-7(8)5-6-18(12)13-11(9)16(21)24-17(13)22/h1-6,9H
InChI Key:
SXVIDPWEFUNOSC-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2=c3n(C4=C(C12)C(=O)OC4=O)ccc1c3cccc1
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.027g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.244g/mol
Monoisotopic Mass:
321.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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