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Articaine Impurity 21

CAT: 1299-RM-A181021-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181021-01Size:10 mg
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CAS Number
1231418-98-6
Synonyms
Methyl (Z) -3- (hydroxyimino) -4-methyltetrahydrothiophene-2-carboxylate
Molecular Formula
C7H11NO3S
Molecular Weight
189.23
Target Alternative Name
Articaine
Product Name Synonym
Methyl (Z) -3- (hydroxyimino) -4-methyltetrahydrothiophene-2-carboxylate

Chemical Information

methyl (Z)-3-(hydroxyimino)-4-methyltetrahydrothiophene-2-carboxylate
CAS Number1231418-98-6
PubChem CID59936238
IUPAC Namemethyl (3Z)-3-hydroxyimino-4-methylthiolane-2-carboxylate
Molecular FormulaC7H11NO3S
Molecular Weight189.23
XLogP1.4
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity217
SMILES
CC\1CSC(/C1=N\O)C(=O)OC
InChI
InChI=1S/C7H11NO3S/c1-4-3-12-6(5(4)8-10)7(9)11-2/h4,6,10H,3H2,1-2H3/b8-5-
InChIKey
QQOBMOCCMLEMQB-YVMONPNESA-N
Chemical Structure
2D Structure
2D structure of methyl (Z)-3-(hydroxyimino)-4-methyltetrahydrothiophene-2-carboxylate
CAS: 1231418-98-6
CID: 59936238
Formula: C7H11NO3S
MW: 189.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.23
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass189.04596439
Monoisotopic Mass189.04596439
Topological Polar Surface Area84.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-A07148-01Articaine Impurity 1
AR-A02609-01Articaine EP Impurity I
AR-A07151-01Articaine EP Impurity B HCl (Articaine Acid HCl)
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AR-A02603-01Articaine EP Impurity C HCl (Articaine Isopropyl Ester HCl)
AR-A02606-01Articaine EP Impurity F HCl (Articaine Acid Propionamide HCl)
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