Ethyl 4-methoxy-2-methylbenzoate

CAT: 0127-OR1100860Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1100860Size:1 g

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CAS Number

56427-62-4

Purity

97%

Smiles

CCOC (=O) C1=C (C=C (C=C1) OC) C

Chemical Information

Ethyl 4-methoxy-2-methylbenzoate

CAS Number	56427-62-4
PubChem CID	14486726
IUPAC Name	ethyl 4-methoxy-2-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

CCOC(=O)C1=C(C=C(C=C1)OC)C

InChI

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

InChIKey

OCVWTVSURRGDPJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56427-62-4

CID: 14486726

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
OR1095472	Ethyl 3-methoxy-4-methylbenzoate
PC1014853-01	Ethyl 3-fluoro-2-methoxy-4-methylbenzoate
OR1088360-01	Ethyl 2-chloro-4-methoxy-5-methylbenzoate
OR75201	Ethyl 2-methoxy-6-methylbenzoate
OR1066707-01	Ethyl 5-methoxy-2-methylbenzoate
PC1016136-01	Ethyl 3-fluoro-4-methoxy-2-methylbenzoate
PC1014875-01	Ethyl 4-fluoro-2-methoxy-5-methylbenzoate
OR1083466-01	Ethyl 5-chloro-4-methoxy-2-methylbenzoate
OR1088508-01	Ethyl 2-chloro-4-methoxy-3-methylbenzoate
OR1087310-01	Ethyl 5-bromo-4-methoxy-2-methylbenzoate

Catalog	Name
sc-482734	Ethyl 2-methoxy-6-methylbenzoate
sc-235004	Ethyl 4-methylbenzoate
SGA75888	Ethyl 4-fluoro-2-methylbenzoate
RG-E082523-01	Ethyl 2-Ethoxy-4-Methylbenzoate
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
sc-218364	Ethyl 2-Ethoxy-4-methylbenzoate-d10