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3-methyl-dihydroindole 3-methyl-2,3-dihydro-1H-indole,Canonical SMILES

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摘 要:3-methyl-dihydroindole 3-methyl-2,3-dihydro-1H-indole,Canonical SMILES: CC1CNC2=CC=CC=C12,InChI: InChI=1/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3,Molecular Weight133.19034 [g/mol]Molecular FormulaC9H11NXLogP1.8H-Bond Donor1H-Bond Acceptor1
[Synonyms]
3-methyl-dihydroindole
[Structure]
3-methyl-dihydroindole 3-methyl-2,3-dihydro-1H-indole,Canonical SMILES

[ Properties Computed from Structure]
Molecular Weight133.19034 [g/mol]
Molecular FormulaC9H11N
XLogP1.8
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass133.089149
MonoIsotopic Mass133.089149
Topological Polar Surface Area12
Heavy Atom Count10
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-methyl-2,3-dihydro-1H-indole
Canonical SMILES: CC1CNC2=CC=CC=C12
InChI: InChI=1/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3

 
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