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Ximoprofen

CAT: 1596-AR-X19835-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-X19835-02Size:25 Units
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CAS Number
56187-89-4
Molecular Formula
C15H19NO3
Molecular Weight
261.32
API Name
Ximoprofen

Chemical Information

Ximoprofen

Ximoprofen is a monocarboxylic acid that is 2-phenylpropionic acid in which the phenyl group is substituted at the para position by a 3-(hydroxyimino)cyclohexyl group. It has a role as a non-steroidal anti-inflammatory drug. It is a ketoxime and a monocarboxylic acid. It is functionally related to a hydratropic acid.

CAS Number56187-89-4
PubChem CID68756
IUPAC Name2-[4-(3-hydroxyiminocyclohexyl)phenyl]propanoic acid
Molecular FormulaC15H19NO3
Molecular Weight261.32
XLogP2.6
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity345
SMILES
CC(C1=CC=C(C=C1)C2CCCC(=NO)C2)C(=O)O
InChI
InChI=1S/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)
InChIKey
IQPPOXSMSDPZKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ximoprofen
CAS: 56187-89-4
CID: 68756
Formula: C15H19NO3
MW: 261.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.32
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass261.13649347
Monoisotopic Mass261.13649347
Topological Polar Surface Area69.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19211930-01Ximoprofen

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