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76162-60-2 | 9H-Pyrido[2,3-b]indole,3-methyl-
CAS No: 76162-60-2 Catalog No: AG0057N4 MDL No:
Product Description
Catalog Number:
AG0057N4
Chemical Name:
9H-Pyrido[2,3-b]indole,3-methyl-
CAS Number:
76162-60-2
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
3-methyl-9H-pyrido[2,3-b]indole
InChI:
InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)13-7-8/h2-7H,1H3,(H,13,14)
InChI Key:
KZCHBHJWVHWOCE-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c2c(c1)c1ccccc1n2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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