Free Chemical Databases
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[Synonyms]
Indole, 2-methyl-
2-METHYLINDOLE
1H-Indole, 2-methyl-
2-Methyl-1H-indole
M51407_ALDRICH
Indole, 2-methyl- (8CI)
ARONIS020142
NSC 7514
67600_FLUKA
EINECS 202-398-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 131.17446 [g/mol] Molecular Formula C9H9N XLogP 2.4 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 0 Exact Mass 131.073499 MonoIsotopic Mass 131.073499 Topological Polar Surface Area 15.8 Heavy Atom Count 10 Formal Charge 0 Complexity 122 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-methyl-1H-indole
Canonical SMILES: CC1=CC2=CC=CC=C2N1
InChI: InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
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