3- (2',3'-Dimethylphenyl) propionic acid

CAT: 0926-ABA17373-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ABA17373-01Size:0.5 g

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CAS Number

25173-73-3

MDL Number

MFCD06823955

Smiles

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

Molecular Formula

C11H14O2

Molecular Weight

178.23 g/mol

Controlled

Chemical Information

2,3-Dimethylbenzenepropanoic acid

CAS Number	25173-73-3
PubChem CID	13809866
IUPAC Name	3-(2,3-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(=CC=C1)CCC(=O)O)C

InChI

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

InChIKey

CUKGYBNTGJFOLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25173-73-3

CID: 13809866

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
BAA81185	3- (2,4-Dimethylphenyl) propionic acid
ABA17375	3- (2,5-Dimethylphenyl) propionic acid
MRA92512-01	3-Amino-3- (2,3-dimethylphenyl) propanoic acid
DPD33993-01	2,3-Dibromo-3- (2,4-dimethylphenyl) propanoic acid
SBA28787	3- (3,5-Dimethylphenyl) propanoic acid
HCA91579	3- (2,3-Dichlorophenyl) propionic acid
FD66442-01	3- (2,3-Dihydroxyphenyl) propionic acid
MRA96126-01	3- (2,3-difluorophenyl) propionic acid
HAA17045	3- (2-Chlorophenoxy) propionic acid
DHA38879-01	3- (2-Imidazolyl) propionic acid

Catalog	Name
OR1021336	3- (2,6-Dimethylphenyl) propionic acid
sc-280320	3- (2,5-Dimethylphenyl) propionic acid
OR1021333	3- (2,4-Dimethylphenyl) propionic acid
sc-280326A	3- (3,4-Dimethylphenyl) propionic acid
abx181845-01	3-(3,4-Dimethylphenyl)propionic acid
PC302489	3- (4-Fluoro-3,5-dimethylphenyl) propionic acid
sc-266362	3- (4-Hydroxy-2,6-dimethylphenyl) -2-methyl-propionic acid
279417-01	3- (2-Hydroxyethyldithio) propionic acid
264398-01	3- (2-Bromophenyl) propionic acid
413416-01	2- (3-Chlorophenoxy) propionic acid