Molecular properties
- Formula
- C3H4O4
- Molar mass
- 104.06 g·mol−1
- Exact mass
- 104.0110 Da
- 2
- 2
- 4
- 74.60 Ų
- -0.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 141-82-2
- PubChem CID
- 867
Molecule record
Malonic acid
C3H4O4
104.06 g/mol
Show IUPAC name
IUPAC name
Propanedioic acid
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Carboxylic acid
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -0.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1,3-Propanedioic acid
- 141-82-2
- 205-503-0
- 9KX7ZMG0MK
- C3H4O4
- CHEBI:30794
- Carboxyacetic acid
- DTXCID401659
Show all 22 synonyms
- DTXSID7021659
- Dicarboxylic acid
- Dicarboxymethane
- Kyselina malonova
- Kyselina malonova [Czech]
- MFCD00002707
- Methanedicarboxylic acid
- NSC-8124
- RefChem:5980
- USAF EK-695
- disodium;malonate
- hydron;propanedioate
- malonate
- malonyl
Structure identifiers
- Canonical SMILES
- C(C(=O)O)C(=O)O
- Isomeric 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
- PubChem CID
- 867
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Malonic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Malonic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.