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81721-76-8 | 6-BUTYL-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS No: 81721-76-8 Catalog No: AG00518G MDL No:
Product Description
Catalog Number:
AG00518G
Chemical Name:
6-BUTYL-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS Number:
81721-76-8
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
IUPAC Name:
6-butylindeno[1,2-c]isoquinoline-5,11-dione
InChI:
InChI=1S/C20H17NO2/c1-2-3-12-21-18-14-9-5-6-10-15(14)19(22)17(18)13-8-4-7-11-16(13)20(21)23/h4-11H,2-3,12H2,1H3
InChI Key:
FZJXJUPQVOAASE-UHFFFAOYSA-N
SMILES:
CCCCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2
UNII:
WGD1TVN7IQ
NSC Number:
336043
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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