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Articaine Impurity 20

CAT: 1299-RM-A181020-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181020-01Size:10 mg
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CAS Number
38293-65-1
Synonyms
Methyl 3- ((2-methoxy-2-oxoethyl) thio) -2-methylpropanoate
Molecular Formula
C8H14O4S
Molecular Weight
206.26
Target Alternative Name
Articaine
Product Name Synonym
Methyl 3- ((2-methoxy-2-oxoethyl) thio) -2-methylpropanoate

Chemical Information

Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
CAS Number38293-65-1
PubChem CID10774666
IUPAC Namemethyl 3-(2-methoxy-2-oxoethyl)sulfanyl-2-methylpropanoate
Molecular FormulaC8H14O4S
Molecular Weight206.26
XLogP1.2
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
CC(CSCC(=O)OC)C(=O)OC
InChI
InChI=1S/C8H14O4S/c1-6(8(10)12-3)4-13-5-7(9)11-2/h6H,4-5H2,1-3H3
InChIKey
KZKWDTDIHGAIKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
CAS: 38293-65-1
CID: 10774666
Formula: C8H14O4S
MW: 206.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.26
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass206.06128010
Monoisotopic Mass206.06128010
Topological Polar Surface Area77.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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