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81721-83-7 | 5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(3-pyridinyl)-
CAS No: 81721-83-7 Catalog No: AG0057RB MDL No:
Product Description
Catalog Number:
AG0057RB
Chemical Name:
5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(3-pyridinyl)-
CAS Number:
81721-83-7
Molecular Formula:
C21H12N2O2
Molecular Weight:
324.3322
IUPAC Name:
6-pyridin-3-ylindeno[1,2-c]isoquinoline-5,11-dione
InChI:
InChI=1S/C21H12N2O2/c24-20-16-9-3-2-8-15(16)19-18(20)14-7-1-4-10-17(14)21(25)23(19)13-6-5-11-22-12-13/h1-12H
InChI Key:
CXCKDYOPDOUJTL-UHFFFAOYSA-N
SMILES:
O=C1c2c3ccccc3c(=O)n(c2c2c1cccc2)c1cccnc1
NSC Number:
342610
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.339g/mol
Monoisotopic Mass:
324.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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