Products for Research Use Only

Ethyl 4-ethoxybenzoate

CAT: 0127-OR928615-01Size: 25 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR928615-01Size:25 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
23676-09-7
MDL Number
MFCD00009116
Purity
98%
Smiles
CCOC(=O)c1ccc(OCC)cc1

Chemical Information

Ethyl 4-ethoxybenzoate

4-Ethoxy ethylbenzoate is a benzoate ester.

CAS Number23676-09-7
PubChem CID90232
IUPAC Nameethyl 4-ethoxybenzoate
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP3.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
CCOC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey
HRAQMGWTPNOILP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-ethoxybenzoate
CAS: 23676-09-7
CID: 90232
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
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

Popular Products