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139884-24-5 | 9H-Pyrido[2,3-b]indole-3-carbonitrile, 9-methyl-
CAS No: 139884-24-5 Catalog No: AG001BR5 MDL No:
Product Description
Catalog Number:
AG001BR5
Chemical Name:
9H-Pyrido[2,3-b]indole-3-carbonitrile, 9-methyl-
CAS Number:
139884-24-5
Molecular Formula:
C13H9N3
Molecular Weight:
207.2307
IUPAC Name:
9-methylpyrido[2,3-b]indole-3-carbonitrile
InChI:
InChI=1S/C13H9N3/c1-16-12-5-3-2-4-10(12)11-6-9(7-14)8-15-13(11)16/h2-6,8H,1H3
InChI Key:
DDBFCHTZWJEDSC-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)c1ccccc1n2C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.236g/mol
Monoisotopic Mass:
207.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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