3- (3-Methoxyphenoxy) propionic acid

CAT: 0127-OR962463-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR962463-01Size:250 mg

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CAS Number

49855-03-0

MDL Number

MFCD00045943

Purity

95%

Smiles

COc1cccc(OCCC(=O)O)c1

Chemical Information

3-(3-Methoxyphenoxy)propionic Acid

CAS Number	49855-03-0
PubChem CID	5201573
IUPAC Name	3-(3-methoxyphenoxy)propanoic acid
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	1.4
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	181

SMILES

COC1=CC(=CC=C1)OCCC(=O)O

InChI

InChI=1S/C10H12O4/c1-13-8-3-2-4-9(7-8)14-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)

InChIKey

JKTUZDBNDYMNLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 49855-03-0

CID: 5201573

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181
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
OR962573-01	3- (2-Methoxyphenoxy) propanoic acid
OR950987-01	2- (3-Methoxyphenoxy) propanoic acid
OR962446-01	3- (4-Methoxyphenoxy) propanoic acid
OR97849	3-Oxo-3- (4-methoxyphenoxy) propanoic acid
OR90010-01	2- (3-Methoxyphenoxy) acetic acid
OR12940-01	3- (4-Methoxyphenoxy) benzoic acid
OR12941	3- (2-Methoxyphenoxy) benzoic acid
BUP19085	3- (3-Methoxyphenyl) propionic acid
OR964229-01	3- (3-Methoxyphenyl) propionic acid
OR1021344	3- (3-Phenoxyphenyl) propionic acid

Catalog	Name
ZBA85503	3- (3-Methoxyphenoxy) propionic Acid
Q-1740.0001	3-Tritylsulfanyl-propionic acid
Q-2620.0005	3-Maleimido-propionic acid
FT29777-01	3- (Tritylthio) propionic acid
I049-25MG	Indole-3-propionic acid
HY-101401-01	3- (Methylthio) propionic acid
TRC-A188835-5G	3-(Acetylthio)propionic Acid
sc-276400	3-Phenylamino-propionic acid
sc-223520	3- (Phenylsulfonyl) propionic acid
FM172706-01	3- (Methylphosphinico) propionic acid