3- (2,5-Dimethylphenyl) propionic acid

CAT: 0024-sc-280320ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-280320ASize:25 g

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CAS Number

25173-75-5

Chemical Information

3-(2,5-Dimethylphenyl)propionic acid

CAS Number	25173-75-5
PubChem CID	13308730
IUPAC Name	3-(2,5-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=CC(=C(C=C1)C)CCC(=O)O

InChI

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

InChIKey

YJUKGBIRIXQUJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25173-75-5

CID: 13308730

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
sc-495942	3- (2,6-Dimethylphenyl) propionic Acid
sc-280326	3- (3,4-Dimethylphenyl) propionic acid
sc-280326A	3- (3,4-Dimethylphenyl) propionic acid
sc-312310	3-Amino-3- (2,5-dimethylphenyl) propanoic acid
sc-266362	3- (4-Hydroxy-2,6-dimethylphenyl) -2-methyl-propionic acid
sc-225858	3- (2',5'-Dimethoxybenzoyl) propionic acid
sc-225857	3- (2,5-Dimethoxyphenyl) propionic acid
sc-275674	3- (2,4-dimethylphenyl) propanoic acid
sc-344271A	3- (2,5-Dimethyl-benzenesulfonylamino) -propionic acid
sc-275678	3- (2,5-Dimethyl-phenoxy) -propionic acid

Catalog	Name
ABA17375	3- (2,5-Dimethylphenyl) propionic acid
OR1021336	3- (2,6-Dimethylphenyl) propionic acid
BAA81185	3- (2,4-Dimethylphenyl) propionic acid
ABA17373-01	3- (2',3'-Dimethylphenyl) propionic acid
PC302489	3- (4-Fluoro-3,5-dimethylphenyl) propionic acid
abx181845-01	3-(3,4-Dimethylphenyl)propionic acid
OR936979-01	3- (3,4-Dimethylphenyl) propionic acid
FD66515-01	(2,5-Dihydroxyphenyl) propionic acid
OR1010633-01	3- (2,5-Dimethoxyphenyl) Propionic Acid
413293-01	2- (2,4,5-Trichlorophenoxy) propionic Acid