4- (2-Methylphenoxy) butanoic acid

CAT: 0926-ZAA33107-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZAA33107-01Size:0.5 g

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CAS Number

24331-07-5

MDL Number

MFCD02333374

Smiles

CC1=CC=CC=C1OCCCC (=O) O

Molecular Formula

C11H14O3

Molecular Weight

194.23 g/mol

Controlled

Yes

Chemical Information

4-(2-methylphenoxy)butanoic Acid

CAS Number	24331-07-5
PubChem CID	1622619
IUPAC Name	4-(2-methylphenoxy)butanoic 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	5
Heavy Atom Count	14
Formal Charge	0
Complexity	179

SMILES

CC1=CC=CC=C1OCCCC(=O)O

InChI

InChI=1S/C11H14O3/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H,12,13)

InChIKey

VIRHHSGEXXURMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24331-07-5

CID: 1622619

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	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
FM131296-01	4- (4-Methylphenoxy) butanoic acid
GCA35914-01	4-[4- (Chlorosulfonyl) -2-methylphenoxy]butanoic acid
QBA62977-01	4- (2-Chloro-4-methylphenoxy) butanoic acid
XAA18001	4- (3-Methylphenoxy) butanoic acid
NEA10427-01	2- (3-Methylphenoxy) butanoic acid
ZTB04607-01	4- (4-tert-Butyl-2-methylphenoxy) butanoic acid
YAA60999-01	4- (4-Chloro-3-methylphenoxy) butanoic acid
LIC70745-01	2- (4-Methylcyclohexyl) butanoic acid
RQB77083-01	4- (2-Ethoxyethoxy) butanoic acid
RQB68967-01	4- (2-Acetamidophenoxy) butanoic acid

Catalog	Name
sc-282505	2- (2-methylphenoxy) butanoic acid
sc-305229	2- (3-Methylphenoxy) butanoic acid
sc-276661	4- (2-methylphenoxy) butanoic acid
sc-282691	2- (4-methylphenoxy) butanoic acid
sc-304594	2- (2-Chloro-5-methylphenoxy) butanoic acid
CS-EL-19807	4- (4-Chloro-2-methylphenoxy) butanoic acid
sc-305496	2- (4-Chloro-3-methylphenoxy) butanoic acid
HY-W280618S-01	4- (4-Chloro-2-methylphenoxy) butanoic acid-d3
sc-397063	2- (Hydroxymethyl) butanoic Acid
sc-282737	2- (dimethylamino) butanoic acid