Methyl 2- (2-methoxyethyl) benzoate

CAT: 0127-OR1080949-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080949-01Size:250 mg

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CAS Number

119368-00-2

Purity

97%

Smiles

C1ccc (c (c1) CCOC) C (=O) OC

Chemical Information

Methyl 2-(2-methoxyethyl)benzoate

CAS Number	119368-00-2
PubChem CID	85583291
IUPAC Name	methyl 2-(2-methoxyethyl)benzoate
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	5
Heavy Atom Count	14
Formal Charge	0
Complexity	179

SMILES

COCCC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C11H14O3/c1-13-8-7-9-5-3-4-6-10(9)11(12)14-2/h3-6H,7-8H2,1-2H3

InChIKey

JHDDGKDEPAMIQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119368-00-2

CID: 85583291

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	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
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Catalog	Name
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