3- (3,4-Dimethylphenyl) propionic acid

CAT: 0127-OR936979-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR936979-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

25173-76-6

MDL Number

MFCD03425686

Purity

96%

Smiles

Cc1ccc(CCC(=O)O)cc1C

Chemical Information

3-(3,4-dimethylphenyl)propanoic Acid

CAS Number	25173-76-6
PubChem CID	3870218
IUPAC Name	3-(3,4-dimethylphenyl)propanoic acid
Molecular Formula	C11H14O2
Molecular Weight	178.23
XLogP	2.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	177

SMILES

CC1=C(C=C(C=C1)CCC(=O)O)C

InChI

InChI=1S/C11H14O2/c1-8-3-4-10(7-9(8)2)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)

InChIKey

FHEOAGCWJWUKJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25173-76-6

CID: 3870218

Formula: C11H14O2

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	177
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
OR1021333	3- (2,4-Dimethylphenyl) propionic acid
PC302489	3- (4-Fluoro-3,5-dimethylphenyl) propionic acid
OR1021336	3- (2,6-Dimethylphenyl) propionic acid
OR1021334	3- (2,5-Dimethylphenyl) propionic acid
OR1058631-01	3-Amino-3- (3,4-dimethylphenyl) propanoic acid
OR938946-01	3- (4-Hydroxy-3,5-dimethylphenyl) propanoic acid
OR1010648-01	3- (3,4-Dihydroxyphenyl) Propionic Acid
OR75976-01	3- (4-Biphenylyl) propionic acid
OR912376-01	3- (4-Hydroxymethylphenoxy) propionic acid
OR10128-01	3- (4-Nitrophenoxy) propionic acid

Catalog	Name
sc-280326A	3- (3,4-Dimethylphenyl) propionic acid
abx181845-01	3-(3,4-Dimethylphenyl)propionic acid
BAA81185	3- (2,4-Dimethylphenyl) propionic acid
ABA17373-01	3- (2',3'-Dimethylphenyl) propionic acid
sc-280320	3- (2,5-Dimethylphenyl) propionic acid
sc-495942	3- (2,6-Dimethylphenyl) propionic Acid
sc-266362	3- (4-Hydroxy-2,6-dimethylphenyl) -2-methyl-propionic acid
FH24472	3- (4-Hydroxyphenyl) propionic acid
FB54163	3- (4-Bromophenyl) propionic acid
IM57803-01	3- (4-Methylbenzoyl) propionic acid