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Home > Indoles and Oxindole > 848909-39-7
848909-39-7 | 2-Butanone, 1-[5-(9H-pyrido[3,4-b]indol-1-yl)-2-furanyl]-
CAS No: 848909-39-7 Catalog No: AG004QE9 MDL No:
Product Description
Catalog Number:
AG004QE9
Chemical Name:
2-Butanone, 1-[5-(9H-pyrido[3,4-b]indol-1-yl)-2-furanyl]-
CAS Number:
848909-39-7
Molecular Formula:
C19H16N2O2
Molecular Weight:
304.3425
IUPAC Name:
1-[5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-yl]butan-2-one
InChI:
InChI=1S/C19H16N2O2/c1-2-12(22)11-13-7-8-17(23-13)19-18-15(9-10-20-19)14-5-3-4-6-16(14)21-18/h3-10,21H,2,11H2,1H3
InChI Key:
JXQSJRRUELICNC-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1ccc(o1)c1nccc2c1[nH]c1c2cccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.349g/mol
Monoisotopic Mass:
304.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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