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Methyl anisate (Standard)

CAT: 0804-HY-W015342R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W015342R-01Size:25 mg
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Description
Methyl anisate (Standard) is the analytical standard of Methyl anisate. This product is intended for research and analytical applications. Methyl anisate is an endogenous metabolite.
CAS Number
121-98-2
UNSPSC
12352005
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease
Smiles
O=C(OC)C1=CC=C(OC)C=C1
Molecular Formula
C9H10O3
Molecular Weight
166.18
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Methyl anisate

Methyl p-anisate is a benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol. It is a monomethoxybenzene and a benzoate ester. It is functionally related to a 4-methoxybenzoic acid.

CAS Number121-98-2
PubChem CID8499
IUPAC Namemethyl 4-methoxybenzoate
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP2.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
COC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey
DDIZAANNODHTRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl anisate
CAS: 121-98-2
CID: 8499
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area35.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
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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