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Home > Indoles and Oxindole > 663171-03-7
663171-03-7 | 9H-Pyrido[3,4-b]indole-3-carboxamide, 9-methyl-
CAS No: 663171-03-7 Catalog No: AG006NIX MDL No:
Product Description
Catalog Number:
AG006NIX
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxamide, 9-methyl-
CAS Number:
663171-03-7
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
9-methylpyrido[3,4-b]indole-3-carboxamide
InChI:
InChI=1S/C13H11N3O/c1-16-11-5-3-2-4-8(11)9-6-10(13(14)17)15-7-12(9)16/h2-7H,1H3,(H2,14,17)
InChI Key:
DYGVIQIOHUNAKD-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncc2c(c1)c1ccccc1n2C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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