3- (5-Fluoro-2-methylphenyl) propionic acid

CAT: 0926-MFA46613-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-MFA46613-01Size:1 g

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CAS Number

137466-13-8

MDL Number

MFCD06823956

Smiles

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

Molecular Formula

C10H11FO2

Molecular Weight

182.19 g/mol

Controlled

Chemical Information

3-(5-Fluoro-2-methylphenyl)propanoic acid

CAS Number	137466-13-8
PubChem CID	46737561
IUPAC Name	3-(5-fluoro-2-methylphenyl)propanoic acid
Molecular Formula	C10H11FO2
Molecular Weight	182.19
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

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

InChI

InChI=1S/C10H11FO2/c1-7-2-4-9(11)6-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)

InChIKey

YXEHAOQFWXEWDY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137466-13-8

CID: 46737561

Formula: C10H11FO2

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.07430775
Monoisotopic Mass	182.07430775
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
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
GKB18960	3- (2-Fluoro-5-methylphenyl) propionic acid
CQA08380	3- (3-Fluoro-2-methylphenyl) propionic acid
CJB18117-01	3- (2-Fluoro-4-methylphenyl) propionic acid
GKC48559-01	2- (3-Fluoro-5-methylphenyl) propanoic acid
FM54164	3- (4-Methylphenyl) propionic acid
RLB42039	3-[2-Fluoro-5- (trifluoromethyl) phenyl]propionic acid
RDA05427-01	2- (3-Fluoro-phenoxy) -propionic acid
FRB68617-01	2-Fluoro-5-[ (3-methylphenyl) sulfamoyl]benzoic acid
STB46070	3- (3-Fluoro-2-methoxyphenyl) propionic acid
FF66999-01	3- (3-Fluoro-4-methoxybenzoyl) propionic acid

Catalog	Name
PC302491-01	3- (5-Fluoro-2-methylphenyl) propionic acid
PC302477-01	3- (2-Fluoro-5-methylphenyl) propionic acid
PC302484-01	3- (3-Fluoro-5-methylphenyl) propionic acid
PC302476	3- (2-Fluoro-4-methylphenyl) propionic acid
PC302483-01	3- (3-Fluoro-2-methylphenyl) propionic acid
PC302265-01	3- (4-Fluoro-2-methylphenyl) propionic acid
PC302266-01	3- (4-Fluoro-3-methylphenyl) propionic acid
PC302264-01	3- (3-Fluoro-4-methylphenyl) propionic acid
OR471637-01	3- (2-Methylphenyl) propionic acid
PC302490-01	3- (5-Fluoro-2-methoxyphenyl) propionic acid