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2,7-Dimethyl-1H-indole

CAT: 0926-FAA62113Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-FAA62113Size:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5621-13-6
MDL Number
MFCD00022715
Smiles
CC1=C2C (=CC=C1) C=C (N2) C
Molecular Formula
C10H11N
Molecular Weight
145.2 g/mol
Controlled
No

Chemical Information

2,7-dimethyl-1H-indole
CAS Number5621-13-6
PubChem CID259835
IUPAC Name2,7-dimethyl-1H-indole
Molecular FormulaC10H11N
Molecular Weight145.20
XLogP2.8
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CC1=C2C(=CC=C1)C=C(N2)C
InChI
InChI=1S/C10H11N/c1-7-4-3-5-9-6-8(2)11-10(7)9/h3-6,11H,1-2H3
InChIKey
QYAVCKAPGJSSRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-dimethyl-1H-indole
CAS: 5621-13-6
CID: 259835
Formula: C10H11N
MW: 145.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.20
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass145.089149355
Monoisotopic Mass145.089149355
Topological Polar Surface Area15.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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Alternative Products

CatalogName
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OR3055644,7-Dimethyl-1H-indole
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PC5201197- (Difluoromethyl) -2,3-dimethyl-1H-indole
OR21122,3-Dimethyl-7-nitro-1H-indole
274235-012,7-Dimethyl-1H-indole-3-carbaldehyde
274234-012,3-Dimethyl-1H-indole-7-carbaldehyde
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