3- (2-Ethoxyethoxy) benzoic acid

CAT: 0024-sc-309420Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-309420Size:500 mg

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CAS Number

898747-62-1

Chemical Information

3-(2-Ethoxyethoxy)benzoic acid

CAS Number	898747-62-1
PubChem CID	15943047
IUPAC Name	3-(2-ethoxyethoxy)benzoic acid
Molecular Formula	C11H14O4
Molecular Weight	210.23
XLogP	2.2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	193

SMILES

CCOCCOC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C11H14O4/c1-2-14-6-7-15-10-5-3-4-9(8-10)11(12)13/h3-5,8H,2,6-7H2,1H3,(H,12,13)

InChIKey

PDBRKLANBVKFLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 898747-62-1

CID: 15943047

Formula: C11H14O4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	210.08920892
Monoisotopic Mass	210.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193
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
sc-304664	2- (2-Ethoxyethoxy) benzoic acid
sc-313987	4- (2-Ethoxyethoxy) benzoic acid
sc-334715	2- (2-ethoxyethoxy) propanoic acid
sc-334715A	2- (2-ethoxyethoxy) propanoic acid
sc-339632	2- (3-bromophenoxy) benzoic acid
sc-356593	3- (2-Methoxyphenoxy) benzoic acid
sc-339632A	2- (3-bromophenoxy) benzoic acid
sc-356593A	3- (2-Methoxyphenoxy) benzoic acid
sc-322159	3- (2-Bromoacetyl) benzoic acid
sc-356597A	3- (2-Methylphenoxy) benzoic acid

Catalog	Name
SPA51375	2- (2-Ethoxyethoxy) benzoic acid
OR1094765	3- (2-ethoxyethoxy) benzoic acid
OR1096032	4- (2-ethoxyethoxy) benzoic acid
SAA84096	2- (Isobutyrylamino) benzoic acid
IBA96355	2- (Methylsulphonyl) benzoic acid
HY-N7138-01	2- (Phosphonooxy) benzoic acid
274602-01	2- (Diphenylphosphino) benzoic Acid
414128-01	2- (Cyanomethyl) benzoic Acid
414002-01	2- (Benzoylamino) benzoic acid
016245	2- (Methoxymethoxy) benzoic Acid