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Barium cis-epoxy-Succinate

CAT: 0572-TRC-B129125-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B129125-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36170-34-0
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
O=C1O[Ba]OC(=O)[C@H]2O[C@@H]12
Molecular Formula
C4 H2 Ba O5
Molecular Weight
267.38
InChI
InChI=1S/C4H4O5.Ba/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/t1-,2+;
Additionnal Information
IUPAC name: (1S,7R)-3,5,8-trioxa-4λ^{2}-barabicyclo[5.1.0]octane-2,6-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Barium cis-epoxy-Succinate
CAS Number36170-34-0
PubChem CID46783551
IUPAC Namebarium(2+);(2R,3S)-oxirane-2,3-dicarboxylate
Molecular FormulaC4H2BaO5
Molecular Weight267.38
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
[C@@H]1([C@H](O1)C(=O)[O-])C(=O)[O-].[Ba+2]
InChI
InChI=1S/C4H4O5.Ba/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/t1-,2+;
InChIKey
OCTAFAUQSARSPC-NUGIMEKKSA-L
Chemical Structure
2D Structure
2D structure of Barium cis-epoxy-Succinate
CAS: 36170-34-0
CID: 46783551
Formula: C4H2BaO5
MW: 267.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass267.895470
Monoisotopic Mass267.895470
Topological Polar Surface Area92.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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