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5-Ethylindole

CAT: 0926-FE52236-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FE52236-03Size:1 g
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CAS Number
68742-28-9
MDL Number
MFCD00047201
Smiles
CCC1=CC2=C (C=C1) NC=C2
Molecular Formula
C10H11N
Molecular Weight
145.2 g/mol
Controlled
No

Chemical Information

5-Ethyl-1H-indole
CAS Number68742-28-9
PubChem CID12399210
IUPAC Name5-ethyl-1H-indole
Molecular FormulaC10H11N
Molecular Weight145.20
XLogP3.1
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
CCC1=CC2=C(C=C1)NC=C2
InChI
InChI=1S/C10H11N/c1-2-8-3-4-10-9(7-8)5-6-11-10/h3-7,11H,2H2,1H3
InChIKey
OLOBSRWDALLNKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethyl-1H-indole
CAS: 68742-28-9
CID: 12399210
Formula: C10H11N
MW: 145.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.20
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass145.089149355
Monoisotopic Mass145.089149355
Topological Polar Surface Area15.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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