3- (2,5-Dimethyl-phenoxy) -propionic acid

CAT: 0024-sc-275678Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275678Size:1 g

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CAS Number

4673-48-7

Chemical Information

3-(2,5-Dimethylphenoxy)propanoic acid

CAS Number	4673-48-7
PubChem CID	348581
IUPAC Name	3-(2,5-dimethylphenoxy)propanoic acid
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2.1
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

CC1=CC(=C(C=C1)C)OCCC(=O)O

InChI

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

InChIKey

KDGFRUATQLBSHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4673-48-7

CID: 348581

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2.1
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
sc-305031	2- (2,6-Dimethyl-phenoxy) -propionic acid
sc-305324	2- (3,4-Dimethyl-phenoxy) -2-methyl-propionic acid
sc-276544	(3,5-Dimethyl-phenoxy) -acetic acid
sc-344271A	3- (2,5-Dimethyl-benzenesulfonylamino) -propionic acid
sc-275711	3- (3,5-Dimethyl-phenylamino) -propionic acid
sc-344271	3- (2,5-Dimethyl-benzenesulfonylamino) -propionic acid
sc-309629	3- (2,5-Dimethyl-benzenesulfonyl) -propionic acid
sc-344137A	3- (2-Ethoxy-phenoxy) -propionic acid
sc-305130	2- (3-Fluoro-phenoxy) -propionic acid
sc-344137	3- (2-Ethoxy-phenoxy) -propionic acid

Catalog	Name
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ZDA76132	2- (4-Ethoxy-phenoxy) -propionic acid
HAA30952-01	2- (3-Methoxy-phenoxy) -propionic acid
DEA20434-01	3- (2-Carbamoyl-phenoxy) -propionic acid
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187205-01	3-Phenoxy Propionic Acid 99.0%
DAA28479-01	3- (4-Chloro-phenoxy) -propionic acid
PC8232	3-[4- (Trifluoromethyl) phenoxy]propionic acid