Ethyl 2-ethoxybenzoate

CAT: 0127-OR911336-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR911336-01Size:5 g

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CAS Number

6290-24-0

MDL Number

MFCD00142907

Purity

98%

Smiles

CCOC(=O)c1ccccc1OCC

Chemical Information

Benzoic acid, 2-ethoxy-, ethyl ester

CAS Number	6290-24-0
PubChem CID	221644
IUPAC Name	ethyl 2-ethoxybenzoate
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	3.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	179

SMILES

CCOC1=CC=CC=C1C(=O)OCC

InChI

InChI=1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3

InChIKey

OUZCDRGUTZLAGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6290-24-0

CID: 221644

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1095865-01	Ethyl 2-chloro-6-ethoxybenzoate
OR1093670	Ethyl 5-chloro-2-ethoxybenzoate
OR928615-01	Ethyl 4-ethoxybenzoate
OR1037874-01	Ethyl 3-ethoxybenzoate
OR13687-01	Ethyl 4- (carboxymethyl) -2-ethoxybenzoate
OR1090744-01	Ethyl 2-bromo-5-ethoxybenzoate
OR1089161-01	Ethyl 2-chloro-5-ethoxybenzoate
OR93612-01	Ethyl 4-tert-butyl-2-ethoxybenzoate
OR1088502-01	Ethyl 2,5-dichloro-4-ethoxybenzoate
OR71011-01	Ethyl 6-bromo-2-chloro-3-ethoxybenzoate

Catalog	Name
448912-01	Ethyl 2-ethoxybenzoate
sc-234972	Ethyl 3-ethoxybenzoate
sc-269134	Ethyl 5-acetyl-2-ethoxybenzoate
TRC-E937565-5G	Ethyl 4-Ethoxybenzoate
HY-W020201R	Ethyl 4-carboxymethyl-2-ethoxybenzoate (Standard)
E09708-01	Ethyl p-ethoxybenzoate 95%
CEC22247-01	Ethyl 4-tert-butyl-2-ethoxybenzoate
JBD31926-01	2- (Diethylamino) ethyl 3-amino-2-ethoxybenzoate
sc-234970	Ethyl 3-chloro-4-ethoxybenzoate
UCA78124-01	2- (Diethylamino) ethyl 3-amino-4-ethoxybenzoate hydrochloride