Methyl 2-ethoxy-5-methylbenzoate

CAT: 0127-OR1082396Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082396Size:250 mg

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CAS Number

13339-05-4

MDL Number

MFCD31775050

Purity

97%

Smiles

C1 (ccc (c (c1) C (=O) OC) OCC) C

Chemical Information

Methyl 2-ethoxy-5-methylbenzoate

CAS Number	13339-05-4
PubChem CID	54505346
IUPAC Name	methyl 2-ethoxy-5-methylbenzoate
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2.5
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	191

SMILES

CCOC1=C(C=C(C=C1)C)C(=O)OC

InChI

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

InChIKey

YFHCEDCZLWREOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13339-05-4

CID: 54505346

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	191
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
OR1080154-01	Methyl 5-ethoxy-2-methylbenzoate
OR1088594-01	Methyl 3-ethoxy-5-methylbenzoate
OR1084376-01	Methyl 3-bromo-2-ethoxy-5-methylbenzoate
OR1088385-01	Methyl 2-chloro-4-ethoxy-5-methylbenzoate
PC1016367-01	Methyl 3-ethoxy-2-fluoro-5-methylbenzoate
PC1016046-01	Methyl 4-ethoxy-5-fluoro-2-methylbenzoate
PC1015884-01	Methyl 2-ethoxy-4-fluoro-5-methylbenzoate
PC1016221-01	Methyl 5-ethoxy-2-fluoro-3-methylbenzoate
PC1016045-01	Methyl 4-ethoxy-2-fluoro-5-methylbenzoate
OR1061765-01	Methyl 2-ethoxy-4-methylbenzoate

Catalog	Name
M584320	Methyl 2-(2-Ethoxy-2-oxoacetamido)-3-methylbenzoate
KHD03000-01	Methyl 5- (cyanomethyl) -2-methylbenzoate
FM25385	Methyl 2-amino-5-methylbenzoate
455697-01	Methyl 5-Chloro-2-methylbenzoate
454871-01	Methyl 2-bromo-5-methylbenzoate
sc-480339	Methyl 5-bromo-2-methylbenzoate
454953-01	Methyl 2-fluoro-5-methylbenzoate
sc-263669A	Methyl 5-fluoro-2-methylbenzoate
XCA98524-01	Methyl 5- (hydroxymethyl) -2-methylbenzoate
ACB14896-01	Methyl 5-formyl-2-methylbenzoate