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81721-81-5 | 6-(2-FURYLMETHYL)-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS No: 81721-81-5 Catalog No: AG005IZV MDL No:
Product Description
Catalog Number:
AG005IZV
Chemical Name:
6-(2-FURYLMETHYL)-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS Number:
81721-81-5
Molecular Formula:
C21H13NO3
Molecular Weight:
327.3328
IUPAC Name:
6-(furan-2-ylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
InChI:
InChI=1S/C21H13NO3/c23-20-16-9-3-2-8-15(16)19-18(20)14-7-1-4-10-17(14)21(24)22(19)12-13-6-5-11-25-13/h1-11H,12H2
InChI Key:
ZPFUGHSCVQWWBR-UHFFFAOYSA-N
SMILES:
O=C1c2c3ccccc3c(=O)n(c2c2c1cccc2)Cc1ccco1
NSC Number:
339703
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.339g/mol
Monoisotopic Mass:
327.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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