3- (2-Ethoxyphenyl) propionic acid

CAT: 0127-OR1021337Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1021337Size:1 Each

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CAS Number

220285-28-9

Purity

=95%

Smiles

CCOc1ccccc1CCC(=O)O

Chemical Information

3-(2-Ethoxyphenyl)propanoic acid

CAS Number	220285-28-9
PubChem CID	2747694
IUPAC Name	3-(2-ethoxyphenyl)propanoic acid
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	179

SMILES

CCOC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C11H14O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)

InChIKey

IBGXZMNEERGARC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220285-28-9

CID: 2747694

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	179
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
OR1021342	3- (3-Ethoxyphenyl) propionic acid
OR1081308-01	3- (4-Ethoxyphenyl) -2-propynoic acid
OR75429-01	2-Amino-3- (3-ethoxyphenyl) propanoic acid
OR911154-01	3- (4-Ethoxyphenyl) propanoic acid
OR964201-01	3- (2-Thiazolyl) propionic acid
OR470097	3- (2-Nitrophenoxy) propionic acid
OR1021340	3- (2-Phenoxyphenyl) propionic acid
OR470106	3- (2-Carbamoylphenoxy) propionic acid
OR97191-01	3- (2-pyridyldithio) propionic acid
OR75605-01	2- (3-Chlorophenoxy) propionic acid

Catalog	Name
FE70190-01	3- (2-Ethoxyphenyl) propionic acid
FE70690-01	3- (4-Ethoxyphenyl) propionic acid
sc-280323A	3- (3-Ethoxyphenyl) propionic acid
DDA75136-01	2- (Thiobenzoylthio) propionic acid
sc-307861	2-Diphenylacetylamino-propionic acid
sc-321871	2-Phenylamino-propionic acid
sc-274007A	2- (Isopropylideneaminooxy) propionic acid
051855-01	2-Chloro Propionic Acid
TMIJ-0054-01	Propionic-2,2-d2 acid
413120-01	2- (2-Chlorophenoxy) propionic acid