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Sodium 3,3-Dimethoxypropanoate

CAT: 0572-TRC-S440560-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S440560-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1629324-90-8
Hazard Statement
No Data Available
Smiles
[Na].COC(CC(=O)O)OC
Molecular Formula
C5 H10 O4 . Na
Molecular Weight
157.12
InChI
InChI=1S/C5H10O4.Na.H/c1-8-5(9-2)3-4(6)7;;/h5H,3H2,1-2H3,(H,6,7);;
Additionnal Information
IUPAC name: 3,3-dimethoxypropanoic acid;sodium hydride

Chemical Information

Sodium 3,3-Dimethoxypropanoate
CAS Number1629324-90-8
PubChem CID169446385
Molecular FormulaC5H10NaO4
Molecular Weight157.12
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
COC(CC(=O)O)OC.[Na]
InChI
InChI=1S/C5H10O4.Na/c1-8-5(9-2)3-4(6)7;/h5H,3H2,1-2H3,(H,6,7);
InChIKey
NUYITXOEVLBEFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sodium 3,3-Dimethoxypropanoate
CAS: 1629324-90-8
CID: 169446385
Formula: C5H10NaO4
MW: 157.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass157.04767808
Monoisotopic Mass157.04767808
Topological Polar Surface Area55.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity87
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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