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Cis-Methylisoeugenol

CAT: 0931-TN3666Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3666Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6380-24-1
Target
Others
Related Pathways
Others
Bioactivity
Cis-Methylisoeugenol is a natural product of Acorus, Araceae. The catalog number is TN3666 and the CAS number is 6380-24-1. cis-Methylisoeugenol can be used as a reference standard.
Smiles
COc1ccc(\C=C/C)cc1OC
Molecular Formula
C11H14O2
Molecular Weight
178.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isoeugenyl methyl ether

Cis-isomethyleugenol is an isomethyleugenol.

CAS Number6380-24-1
PubChem CID1549045
IUPAC Name1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
C/C=C\C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-
InChIKey
NNWHUJCUHAELCL-PLNGDYQASA-N
Chemical Structure
2D Structure
2D structure of Isoeugenyl methyl ether
CAS: 6380-24-1
CID: 1549045
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes