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2-(2-Methoxyphenoxy)acetaldehyde

CAT: 0572-TRC-M265420-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M265420-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18167-91-4
Synonyms
(o-Methoxyphenoxy)acetaldehyde; Guaiacoxyacetaldehyde; O-(2-Oxoethyl)guaiacol;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
COc1ccccc1OCC=O
Molecular Formula
C9H10O3
Molecular Weight
166.18
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(2-Methoxyphenoxy)acetaldehyde
CAS Number18167-91-4
PubChem CID10261436
IUPAC Name2-(2-methoxyphenoxy)acetaldehyde
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP0.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity136
SMILES
COC1=CC=CC=C1OCC=O
InChI
InChI=1S/C9H10O3/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-6H,7H2,1H3
InChIKey
IFXQVNUAEAGXOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Methoxyphenoxy)acetaldehyde
CAS: 18167-91-4
CID: 10261436
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area35.5 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