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6-Methoxy-1-tetralone

CAT: 0804-HY-34408-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-34408-01Size:25 g
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Description
6-Methoxy-3,4-dihydronaphthalen-1 (2H) -one is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
1078-19-9
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.98
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1CCCC2=C1C=CC(OC)=C2
Molecular Formula
C11H12O2
Molecular Weight
176.22
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

6-Methoxy-alpha-tetralone

6-Methoxy-1-tetralone is a member of tetralins.

CAS Number1078-19-9
PubChem CID14112
IUPAC Name6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC11H12O2
Molecular Weight176.21
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity200
SMILES
COC1=CC2=C(C=C1)C(=O)CCC2
InChI
InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3
InChIKey
MNALUTYMBUBKNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-alpha-tetralone
CAS: 1078-19-9
CID: 14112
Formula: C11H12O2
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.083729621
Monoisotopic Mass176.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity200
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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