Loxoprofen methyl-d3 ethyl ester

CAT: 0926-GDA76282-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-GDA76282-01Size:25 mg

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CAS Number

81762-82-5

Smiles

CCOC (=O) C (C) C1=CC=C (C=C1) CC2CCCC2=O

Molecular Formula

C17H22O3

Molecular Weight

274.35 g/mol

Controlled

Chemical Information

Ethyl 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate

CAS Number	81762-82-5
PubChem CID	67708236
IUPAC Name	ethyl 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate
Molecular Formula	C17H22O3
Molecular Weight	274.35
XLogP	3.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	342

SMILES

CCOC(=O)C(C)C1=CC=C(C=C1)CC2CCCC2=O

InChI

InChI=1S/C17H22O3/c1-3-20-17(19)12(2)14-9-7-13(8-10-14)11-15-5-4-6-16(15)18/h7-10,12,15H,3-6,11H2,1-2H3

InChIKey

GOKUMNPBIASQEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81762-82-5

CID: 67708236

Formula: C17H22O3

MW: 274.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.35
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	274.15689456
Monoisotopic Mass	274.15689456
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-C109164-100MG	Loxoprofen methyl-d3 ethyl ester
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