Products for Research Use Only
RegisterLogin

Malonic Acid-d4

CAT: 0572-TRC-M158006-5GSize: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M158006-5GSize:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
813-56-9
Synonyms
Propanedioic-2,2-d2 Acid-1,3-d2; Malonic-d2 Acid-d2; Propanedioic-d2 Acid-d2; Tetradeuteriomalonic Acid; Propanedioic Acid-d4; 1,3-Propanedioic Acid-d4; Carboxyacetic Acid-d4; Dicarboxymethane-d4; Methanedicarboxylic Acid-d4; NSC 8124-d4
Hazard Statement
May be harmful if swallowed.
Smiles
[2H]OC(=O)C([2H])([2H])C(=O)O[2H]
Molecular Formula
C3 D4 O4
Molecular Weight
108.086
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/i1D2/hD2
Additionnal Information
IUPAC name: dideuterio 2,2-dideuteriopropanedioate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(2H2)Malonic (2H2)acid
CAS Number813-56-9
PubChem CID123087
IUPAC Namedideuterio 2,2-dideuteriopropanedioate
Molecular FormulaC3H4O4
Molecular Weight108.09
XLogP-0.8
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity83
SMILES
[2H]C([2H])(C(=O)O[2H])C(=O)O[2H]
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/i1D2/hD2
InChIKey
OFOBLEOULBTSOW-BGOGGDMHSA-N
Chemical Structure
2D Structure
2D structure of (2H2)Malonic (2H2)acid
CAS: 813-56-9
CID: 123087
Formula: C3H4O4
MW: 108.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.09
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass108.03606559
Monoisotopic Mass108.03606559
Topological Polar Surface Area74.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity83.1
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-M158005-100GMalonic Acid
TRC-M158005-5GMalonic Acid
TRC-M158008-100MGMalonic Acid-2-13C
TRC-M158008-50MGMalonic Acid-2-13C
E922022Ethyl-d5-malonic Acid
TRC-M158008-25MGMalonic Acid-2-13C
TRC-M158030-50GMalonic Acid Disodium Salt Monohydrate
TRC-M158030-5GMalonic Acid Disodium Salt Monohydrate
TRC-M158030-10GMalonic Acid Disodium Salt Monohydrate
TRC-A633503-1MGAmlodipine-d4 Maleic Acid Salt (2-Chlorophenyl-d4)

Alternative Products

CatalogName
sc-235561Malonic acid-d4
006142(4-Chlorobenzoylamino) malonic Acid-d4 Diethyl Ester
MBS6066873-01(4-Chlorobenzoylamino)malonic Acid-d4 Diethyl Ester
B7900-500Malonic acid

Popular Products