3-ethoxy-5-ethylbenzoic acid

CAT: 0127-OR1088414-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1088414-01Size:250 mg

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CAS Number

2385059-57-2

MDL Number

MFCD32633234

Purity

95%

Smiles

C1 (cc (cc (c1) OCC) C (=O) O) CC

Chemical Information

3-Ethoxy-5-ethylbenzoic acid

CAS Number	2385059-57-2
PubChem CID	145740140
IUPAC Name	3-ethoxy-5-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=CC(=CC(=C1)OCC)C(=O)O

InChI

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

InChIKey

LVWWZHXYQUDDRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2385059-57-2

CID: 145740140

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
OR1082230-01	2-Ethoxy-5-ethylbenzoic acid
OR1081152-01	4-Ethoxy-3-ethylbenzoic acid
OR1086868-01	2-Ethoxy-3-ethylbenzoic acid
OR1082236-01	4-Ethoxy-2-ethylbenzoic acid
OR1082295-01	3-cyano-5-ethylbenzoic acid
OR1081794-01	3-Chloro-5-ethylbenzoic acid
OR1055544-01	3-Bromo-5-ethylbenzoic acid
OR1100895-01	3- (benzyloxy) -5-ethylbenzoic acid
OR94989-01	3-Ethylbenzoic acid
OR1057580-01	2-Amino-5-ethylbenzoic acid

Catalog	Name
E899765	3-Ethylbenzoic Acid
DXC60191-01	3,5-Dibromo-4-ethylbenzoic acid
SCA64808-01	2-Chloro-5-ethylbenzoic acid
CAA47582-01	2-Amino-5-ethylbenzoic acid
JBA92161-01	2-Amino-5-bromo-3-ethylbenzoic acid
ZDA54853-01	3-bromo-4-ethylbenzoic acid
REB69892-01	4-bromo-3-ethylbenzoic acid
424827-01	3-Chloro-2-ethylbenzoic acid
sc-344558A	3- (chlorosulfonyl) -4-ethylbenzoic acid
417599-01	2-Ethylbenzoic acid