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2-Acetamidomalonate sodium

CAT: 0931-TYD-03467-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-03467-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117976-12-2
Target
Others
Related Pathways
Others
Bioactivity
2-Acetamidomalonate sodium is an intermediate used in the synthesis of various active compounds.
Smiles
O=C(C(C([O-])=O)NC(C)=O)[O-].[Na+].[Na+]
Molecular Formula
C5H5NNa2O5
Molecular Weight
205.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium 2-acetamidomalonate
CAS Number117976-12-2
PubChem CID15096392
IUPAC Namedisodium;2-acetamidopropanedioate
Molecular FormulaC5H5NNa2O5
Molecular Weight205.08
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
CC(=O)NC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C5H7NO5.2Na/c1-2(7)6-3(4(8)9)5(10)11;;/h3H,1H3,(H,6,7)(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKey
DZHMKRWQGAVIJB-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Sodium 2-acetamidomalonate
CAS: 117976-12-2
CID: 15096392
Formula: C5H5NNa2O5
MW: 205.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.08
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass204.99631082
Monoisotopic Mass204.99631082
Topological Polar Surface Area109 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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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Alternative Products

CatalogName
HY-79791-012-Acetamidomalonate (sodium)
OR1007619-01Sodium 2-acetamidomalonate
GTR19267758-012-Acetamidomalonate sodium
PC450242Sodium 2,2-difluorohexanoate
JH656678Sodium,2,2-dichloroacetate
PC450208-01Sodium 2,2-difluorobutyrate
OR1028662-01Sodium 2,2-Dichloropropionate
RG-D090336-01Sodium 2,2-Dichloroacetate
JH641536Sodium 2,2'-disulfanediyldiethanesulfonate
PC450283-01Sodium 2,2-difluoropropionate

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