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Ticarcillin Impurity 1

CAT: 1596-AR-T05149-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T05149-06Size:250 Units
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CAS Number
50530-49-9
Molecular Formula
C7H6O4S
Molecular Weight
186.18
API Name
Ticarcillin sodium

Chemical Information

(Thiophen-2-yl)propanedioic acid
CAS Number50530-49-9
PubChem CID15607089
IUPAC Name2-thiophen-2-ylpropanedioic acid
Molecular FormulaC7H6O4S
Molecular Weight186.19
XLogP0.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
C1=CSC(=C1)C(C(=O)O)C(=O)O
InChI
InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-2-1-3-12-4/h1-3,5H,(H,8,9)(H,10,11)
InChIKey
OIJPSMYQMUNKSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Thiophen-2-yl)propanedioic acid
CAS: 50530-49-9
CID: 15607089
Formula: C7H6O4S
MW: 186.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.19
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass185.99867984
Monoisotopic Mass185.99867984
Topological Polar Surface Area103 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-T030305-01Ticarcillin EP Impurity E
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