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81721-74-6 | 6-PROPYL-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS No: 81721-74-6 Catalog No: AG005IZW MDL No:
Product Description
Catalog Number:
AG005IZW
Chemical Name:
6-PROPYL-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS Number:
81721-74-6
Molecular Formula:
C19H15NO2
Molecular Weight:
289.3279
IUPAC Name:
6-propylindeno[1,2-c]isoquinoline-5,11-dione
InChI:
InChI=1S/C19H15NO2/c1-2-11-20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h3-10H,2,11H2,1H3
InChI Key:
XTNSBPFEFLVLBC-UHFFFAOYSA-N
SMILES:
CCCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2
UNII:
POE5E5Q5PZ
NSC Number:
339704
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.334g/mol
Monoisotopic Mass:
289.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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