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5-Ethyl-2-methoxy-4-methylphenol

CAT: 0127-OR1064746-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1064746-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91055-37-7
MDL Number
MFCD24715871
Purity
95%
Smiles
OC1=CC(CC)=C(C)C=C1OC

Chemical Information

5-Ethyl-2-methoxy-4-methylphenol
CAS Number91055-37-7
PubChem CID84819489
IUPAC Name5-ethyl-2-methoxy-4-methylphenol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity136
SMILES
CCC1=CC(=C(C=C1C)OC)O
InChI
InChI=1S/C10H14O2/c1-4-8-6-9(11)10(12-3)5-7(8)2/h5-6,11H,4H2,1-3H3
InChIKey
IUMXZYKDLXMTNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethyl-2-methoxy-4-methylphenol
CAS: 91055-37-7
CID: 84819489
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity136
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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