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Disodium Citrate

CAT: 0572-TRC-D494163-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494163-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144-33-2
Hazard Statement
No Data Available
Smiles
OC(C(CC(O[Na])=O)(CC(O[Na])=O)O)=O
Molecular Formula
C6H6Na2O7
Molecular Weight
236.09
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Disodium Hydrogen Citrate
CAS Number144-33-2
PubChem CID8950
IUPAC Namedisodium;3-carboxy-3-hydroxypentanedioate
Molecular FormulaC6H6Na2O7
Molecular Weight236.09
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity216
SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Na+].[Na+]
InChI
InChI=1S/C6H8O7.2Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey
CEYULKASIQJZGP-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Disodium Hydrogen Citrate
CAS: 144-33-2
CID: 8950
Formula: C6H6Na2O7
MW: 236.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight236.09
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass235.99089109
Monoisotopic Mass235.99089109
Topological Polar Surface Area138 Ų
Heavy Atom Count15
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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