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4-Methyl-1-tetralone

CAT: 0013-GTR19254167-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254167-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Methyl-1-tetralone, with CAS No. 19832-98-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4-Methyl-1-tetralone provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
19832-98-5
Product Name Alternative
4Methyl1tetralone, 4 Methyl 1 tetralone
Purity
98.28% (May vary between batches)
Smiles
CC1CCC (=O) c2ccccc12
Molecular Formula
C11H12O
Molecular Weight
160.216
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

1,2,3,4-Tetrahydro-4-methylnaphthalen-1-one
CAS Number19832-98-5
PubChem CID89232
IUPAC Name4-methyl-3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC11H12O
Molecular Weight160.21
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
CC1CCC(=O)C2=CC=CC=C12
InChI
InChI=1S/C11H12O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-5,8H,6-7H2,1H3
InChIKey
SRLHDEROUKFEMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,4-Tetrahydro-4-methylnaphthalen-1-one
CAS: 19832-98-5
CID: 89232
Formula: C11H12O
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP32.4
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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