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Malonic Acid For Synthesis

CAT: 1442-113220 100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1442-113220 100Size:100 mg
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CAS Number
141-82-2
Molecular Formula
CH2 (COOH) 2
Molecular Weight
104.06
HSN Code
29171920

Chemical Information

Malonic Acid

Malonic acid is an alpha,-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. It has a role as a human metabolite. It is a conjugate acid of a malonate(1-).

CAS Number141-82-2
PubChem CID867
IUPAC Namepropanedioic acid
Molecular FormulaC3H4O4
Molecular Weight104.06
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
C(C(=O)O)C(=O)O
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Malonic Acid
CAS: 141-82-2
CID: 867
Formula: C3H4O4
MW: 104.06
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.06
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass104.01095860
Monoisotopic Mass104.01095860
Topological Polar Surface Area74.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity83.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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