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80721-47-7 | 7,9-DIMETHOXYCARBONYL-2-ETHOXYCARBONYL-1H-PYRROLO-[2,3-F]QUINOLINE-4,5-DIONE
CAS No: 80721-47-7 Catalog No: AG00G4TR MDL No:
Product Description
Catalog Number:
AG00G4TR
Chemical Name:
7,9-DIMETHOXYCARBONYL-2-ETHOXYCARBONYL-1H-PYRROLO-[2,3-F]QUINOLINE-4,5-DIONE
CAS Number:
80721-47-7
IUPAC Name:
2-O-ethyl 7-O,9-O-dimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
InChI:
InChI=1S/C18H14N2O8/c1-4-28-18(25)10-6-8-12(19-10)11-7(16(23)26-2)5-9(17(24)27-3)20-13(11)15(22)14(8)21/h5-6,19H,4H2,1-3H3
InChI Key:
YYWXAGSZHNRGHM-UHFFFAOYSA-N
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.075g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.316g/mol
Monoisotopic Mass:
386.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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