GPR120 Agonist 2 5mg

CAT: 0628-A19245-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A19245-5Size:5 mg

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CAS Number

1234844-11-1

Chemical Information

GPR120 Agonist 2

CAS Number	1234844-11-1
PubChem CID	46700745
IUPAC Name	3-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid
Molecular Formula	C22H25ClO4
Molecular Weight	388.9
XLogP	5.1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	522

SMILES

CC1=C(C=CC(=C1C)OCC2=CC(=CC3=C2OC(C3)(C)C)Cl)CCC(=O)O

InChI

InChI=1S/C22H25ClO4/c1-13-14(2)19(7-5-15(13)6-8-20(24)25)26-12-17-10-18(23)9-16-11-22(3,4)27-21(16)17/h5,7,9-10H,6,8,11-12H2,1-4H3,(H,24,25)

InChIKey

KOHMUAMPZUHGNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1234844-11-1

CID: 46700745

Formula: C22H25ClO4

MW: 388.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.9
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	388.1441370
Monoisotopic Mass	388.1441370
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	522
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