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Methyl 4-Methoxybenzoate

CAT: 0127-OR350244-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR350244-01Size:100 g
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CAS Number
121-98-2
MDL Number
MFCD00008437
Purity
99%
Smiles
COC(=O)c1ccc(OC)cc1

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
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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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Alternative Products

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GNC26678-01Methyl 4- (chlorosulfonyl) -2-methoxybenzoate
FM71228-01Methyl 4-acetamido-2-methoxybenzoate
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