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Ropivacaine Impurity 63

CAT: 1299-RM-R162263-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R162263-01Size:10 mg
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CAS Number
1786841-18-6
Synonyms
(R) -1-picolinoylpiperidine-2-carboxylic acid
Molecular Formula
C12H14N2O3
Molecular Weight
234.26
Target Alternative Name
Ropivacaine
Product Name Synonym
(R) -1-picolinoylpiperidine-2-carboxylic acid

Chemical Information

(R)-1-Picolinoylpiperidine-2-carboxylic acid
CAS Number1786841-18-6
PubChem CID29891947
IUPAC Name(2R)-1-(pyridine-2-carbonyl)piperidine-2-carboxylic acid
Molecular FormulaC12H14N2O3
Molecular Weight234.25
XLogP1.1
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity306
SMILES
C1CCN([C@H](C1)C(=O)O)C(=O)C2=CC=CC=N2
InChI
InChI=1S/C12H14N2O3/c15-11(9-5-1-3-7-13-9)14-8-4-2-6-10(14)12(16)17/h1,3,5,7,10H,2,4,6,8H2,(H,16,17)/t10-/m1/s1
InChIKey
VKHKRVHQUFIHIW-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of (R)-1-Picolinoylpiperidine-2-carboxylic acid
CAS: 1786841-18-6
CID: 29891947
Formula: C12H14N2O3
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass234.10044231
Monoisotopic Mass234.10044231
Topological Polar Surface Area70.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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