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Methyl 4-ethoxybenzoate

CAT: 0013-GTR19173365-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19173365-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Methyl 4-ethoxybenzoate (AI3-20348) is a biochemical research agent used as a substrate for in vitro esterase activity assays. It finds application in fragrance chemistry, metabolic profiling, and serves as a reference standard in analytical chromatography.
CAS Number
23676-08-6
Product Name Alternative
Methyl 4 ethoxybenzoate, Methyl 4ethoxybenzoate, Methyl 4-ethoxybenzoate, AI 320348, AI3 20348, AI320348, AI-320348, AI3-20348
Purity
99.87% (May vary between batches)
Solubility
DMSO:60 mg/mL (332.96 mM)
Smiles
CCOc1ccc (cc1) C (=O) OC
Molecular Formula
C10H12O3
Molecular Weight
180.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 4-ethoxybenzoate
CAS Number23676-08-6
PubChem CID90231
IUPAC Namemethyl 4-ethoxybenzoate
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP2.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
CCOC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C10H12O3/c1-3-13-9-6-4-8(5-7-9)10(11)12-2/h4-7H,3H2,1-2H3
InChIKey
RNHXTCZZACTEMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-ethoxybenzoate
CAS: 23676-08-6
CID: 90231
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
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

CatalogName
M24080-01Methyl 4-ethoxybenzoate
OR1083508-01Methyl 2-bromo-4-ethoxybenzoate
OR1082916Methyl 2-chloro-4-ethoxybenzoate
OR1086941-01Methyl 3-ethyl-4-ethoxybenzoate
OR84242-01Methyl 3-chloro-4-ethoxybenzoate
HMB89653-01Methyl 3- (chlorosulfonyl) -4-ethoxybenzoate
OR91337-01Methyl 3-bromo-4-ethoxybenzoate
OR1085195-01Methyl 4-chloro-2-ethoxybenzoate
OR1083203-01Methyl 4-chloro-3-ethoxybenzoate
FM71085-01Methyl 3-ethoxybenzoate

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