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7-Methoxy-1-tetralone

CAT: 0931-Fr12275-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0931-Fr12275-01Size:2 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6836-19-7
Target
Others, c-Met/HGFR, MMP, Apoptosis, NF-κB, Akt
Related Pathways
PI3K/Akt/mTOR signaling, Tyrosine Kinase/Adaptors, Others, NF-κB, Apoptosis, Cytoskeletal Signaling, Proteases/Proteasome
Purity
0.9993
Bioactivity
7-Methoxy-1-tetralone may have insecticidal activity.
Smiles
COC1=CC2=C(CCCC2=O)C=C1
Molecular Formula
C11H12O2
Molecular Weight
176.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

7-Methoxy-3,4-dihydro-1(2H)-naphthalenone is a member of tetralins.

CAS Number6836-19-7
PubChem CID81276
IUPAC Name7-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(CCCC2=O)C=C1
InChI
InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3
InChIKey
GABLTKRIYDNDIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one
CAS: 6836-19-7
CID: 81276
Formula: C11H12O2
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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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