Ethyl 4-ethoxy-2-methylbenzoate

CAT: 0127-OR1088247Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1088247Size:1 g

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CAS Number

23676-15-5

MDL Number

MFCD31771931

Purity

97%

Smiles

C1c (cc (c (c1) C (=O) OCC) C) OCC

Chemical Information

Ethyl 4-ethoxy-2-methylbenzoate

CAS Number	23676-15-5
PubChem CID	13356898
IUPAC Name	ethyl 4-ethoxy-2-methylbenzoate
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	2.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	203

SMILES

CCOC1=CC(=C(C=C1)C(=O)OCC)C

InChI

InChI=1S/C12H16O3/c1-4-14-10-6-7-11(9(3)8-10)12(13)15-5-2/h6-8H,4-5H2,1-3H3

InChIKey

TWRFQUNWVSMELS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23676-15-5

CID: 13356898

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203
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
OR1095476-01	Ethyl 2-ethoxy-4-methylbenzoate
OR1080972-01	Ethyl 3-ethoxy-4-methylbenzoate
OR1088905	Ethyl 5-ethoxy-2-methylbenzoate
PC1016020-01	Ethyl 4-ethoxy-5-fluoro-2-methylbenzoate
PC1016213-01	Ethyl 4-ethoxy-3-fluoro-2-methylbenzoate
PC1015983-01	Ethyl 2-ethoxy-3-fluoro-4-methylbenzoate
OR1088331-01	Ethyl 2-chloro-4-ethoxy-5-methylbenzoate
OR1094250	Ethyl 2-ethoxy-5-methylbenzoate
PC1016066-01	Ethyl 2-ethoxy-4-fluoro-5-methylbenzoate
OR1061765-01	Methyl 2-ethoxy-4-methylbenzoate

Catalog	Name
RG-E082523-01	Ethyl 2-Ethoxy-4-Methylbenzoate
sc-218364	Ethyl 2-Ethoxy-4-methylbenzoate-d10
sc-235004	Ethyl 4-methylbenzoate
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GT HW 2122-01	Ethyl 4-chloro-2-methylbenzoate
sc-357352A	Ethyl 2-methylbenzoate
sc-234954	Ethyl 2,4-dihydroxy-6-methylbenzoate
RG-E140575-01	Ethyl 2,3-difluoro-4-methylbenzoate
284318-01	2-[ (4-Methylbenzoyl) Amino]Ethyl 4-Methylbenzoate
DXC58236-01	Ethyl 4-hydrazinyl-2-methylbenzoate hydrochloride