2-Ethoxy-3-ethylbenzoic acid

CAT: 0127-OR1086868-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1086868-01Size:250 mg

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CAS Number

2007434-74-2

MDL Number

MFCD34533941

Purity

97%

Smiles

C1ccc (c (c1C (=O) O) OCC) CC

Chemical Information

2-Ethoxy-3-ethylbenzoic acid

CAS Number	2007434-74-2
PubChem CID	53649402
IUPAC Name	2-ethoxy-3-ethylbenzoic acid
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	191

SMILES

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

InChI

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

InChIKey

ALPRHXQAHYPRQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2007434-74-2

CID: 53649402

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	46.5 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
OR1081152-01	4-Ethoxy-3-ethylbenzoic acid
OR1088414-01	3-ethoxy-5-ethylbenzoic acid
OR1082230-01	2-Ethoxy-5-ethylbenzoic acid
OR1082236-01	4-Ethoxy-2-ethylbenzoic acid
OR94989-01	3-Ethylbenzoic acid
OR16146-01	2-Ethylbenzoic acid
OR1086891-01	2- (Benzyloxy) -3-ethylbenzoic acid
OR75752-01	3-Bromo-2-ethylbenzoic acid
OR908057-01	3-Chloro-2-ethylbenzoic acid
OR93408-01	2-Amino-3-ethylbenzoic acid

Catalog	Name
E899765	3-Ethylbenzoic Acid
417599-01	2-Ethylbenzoic acid
424827-01	3-Chloro-2-ethylbenzoic acid
FAA43740-01	2-Amino-3-ethylbenzoic acid
DXC58654-01	2-Amino-3-ethylbenzoic acid hydrochloride
ZDA54853-01	3-bromo-4-ethylbenzoic acid
REB69892-01	4-bromo-3-ethylbenzoic acid
sc-344558A	3- (chlorosulfonyl) -4-ethylbenzoic acid
RG-E200810-01	4-Ethylbenzoic Acid
CAA48674-01	4-Amino-2-ethylbenzoic acid