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Sodium malonate dibasic monohydrate

CAT: 0862-GX6101-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0862-GX6101-100gSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26522-85-0
EC Number
205-514-0
MDL Number
MFCD00002708
HS Code
2917191090
Purity
98.00%
Molecular Formula
CH2 (CO2Na) 2 · H2O
Molecular Weight
166.04
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Disodium Propanedioate Hydrate
CAS Number26522-85-0
PubChem CID2735073
IUPAC Namedisodium;propanedioate;hydrate
Molecular FormulaC3H4Na2O5
Molecular Weight166.04
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity72
SMILES
C(C(=O)[O-])C(=O)[O-].O.[Na+].[Na+]
InChI
InChI=1S/C3H4O4.2Na.H2O/c4-2(5)1-3(6)7;;;/h1H2,(H,4,5)(H,6,7);;;1H2/q;2*+1;/p-2
InChIKey
INIYRMMIDZWSKY-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Disodium Propanedioate Hydrate
CAS: 26522-85-0
CID: 2735073
Formula: C3H4Na2O5
MW: 166.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.04
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass165.98541179
Monoisotopic Mass165.98541179
Topological Polar Surface Area81.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity72.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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