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2-Methyl-1-tetralone

CAT: 0127-OR46762-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR46762-01Size:1 g
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CAS Number
1590-08-5
MDL Number
MFCD00001690
Purity
96%
Smiles
CC1CCc2ccccc2C1=O

Chemical Information

2-Methyl-1-tetralone

2-methyl-1-tetralone is a member of the class of tetralins that is tetralin in which the hydrogens at positions 1 and 2 are replaced by oxo and methyl groups, respectively. It is a member of tetralins and an aromatic ketone.

CAS Number1590-08-5
PubChem CID102650
IUPAC Name2-methyl-3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC11H12O
Molecular Weight160.21
XLogP2.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
CC1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3
InChIKey
GANIBVZSZGNMNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-1-tetralone
CAS: 1590-08-5
CID: 102650
Formula: C11H12O
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass160.088815002
Monoisotopic Mass160.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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