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Home > Indoles and Oxindole > 142666-19-1
142666-19-1 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(5-methyl-2-furanyl)-
CAS No: 142666-19-1 Catalog No: AG006XYH MDL No:
Product Description
Catalog Number:
AG006XYH
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(5-methyl-2-furanyl)-
CAS Number:
142666-19-1
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
1-(5-methylfuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI:
InChI=1S/C16H16N2O/c1-10-6-7-14(19-10)16-15-12(8-9-17-16)11-4-2-3-5-13(11)18-15/h2-7,16-18H,8-9H2,1H3
InChI Key:
IUNNGDFCXSQHEK-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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