Methyl 4-ethoxy-2-ethylbenzoate

CAT: 0127-OR1082915-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082915-01Size:250 mg

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CAS Number

1368272-90-5

MDL Number

MFCD31773339

Purity

95%

Smiles

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

Chemical Information

Methyl 4-ethoxy-2-ethylbenzoate

CAS Number	1368272-90-5
PubChem CID	82552044
IUPAC Name	methyl 4-ethoxy-2-ethylbenzoate
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	2.9
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

CCC1=C(C=CC(=C1)OCC)C(=O)OC

InChI

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

InChIKey

ZGCYXIMQSJZLKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1368272-90-5

CID: 82552044

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	2.9
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
OR1082889-01	Methyl 2-ethoxy-5-ethylbenzoate
OR7700-01	Methyl 4-ethylbenzoate
OR1088338-01	Ethyl 4-ethoxy-3-ethylbenzoate
OR1042697-01	Methyl 4-amino-2-ethylbenzoate
OR955741-01	Methyl 2-ethylbenzoate
OR1089901	Methyl 4- (benzyloxy) -2-ethylbenzoate
OR1097401	Methyl 4-bromo-2-ethylbenzoate
OR1082952-01	Ethyl 2-ethoxy-5-ethylbenzoate
OR77153-01	Methyl 4-amino-3-ethylbenzoate
OR1097920-01	Methyl 4- (benzyloxy) -3-ethylbenzoate

Catalog	Name
TYD-00841-01	Methyl 4-ethylbenzoate
ZAA81293-01	Methyl 3-amino-4-ethylbenzoate
DGA30475	Methyl 4-amino-3-ethylbenzoate
EXB17828-01	Methyl 2-amino-3-ethylbenzoate
CAA47578-01	Methyl 2-amino-5-ethylbenzoate
XZB82538-01	Methyl 2- (chlorosulfonyl) -5-ethylbenzoate
AR-M01721-01	2- (2-methyl-4-nitro-1H-imidazol-1-yl) ethylbenzoate
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sc-328663A	Methyl 4-[2- (4-formylphenoxy) ethoxy]-benzenecarboxylate
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