Molecular properties
- Formula
- C4H4O4
- Molar mass
- 116.07 g·mol−1
- Exact mass
- 116.0110 Da
- 3
- 2
- 4
- 74.60 Ų
- -0.3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 110-17-8
- PubChem CID
- 444972
Molecule record
Fumaric acid
C4H4O4
116.07 g/mol
Show IUPAC name
IUPAC name
trans-Butenedioic 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 | -0.3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (2E)-2-butenedioic acid
- (2E)-but-2-enedioic acid
- (E)-2-Butenedioic acid
- (E)-but-2-enedioic acid
- 110-17-8
- 2-Butenedioic acid (2E)-
- 2-Butenedioic acid, (E)-
- Allomaleic acid
Show all 22 synonyms
- Allomaleic-acid
- Allomalenic acid
- Boletic acid
- Boletic-acid
- Butenedioic acid, (E)-
- FEMA No. 2488
- Fumaricum acidum
- Kyselina fumarova
- Lichenic acid
- NSC-2752
- Tumaric acid
- USAF EK-P-583
- trans-1,2-Ethylenedicarboxylic acid
- trans-2-Butenedioic acid
Structure identifiers
- Canonical SMILES
- C(=C/C(=O)O)\C(=O)O
- Isomeric SMILES
- C(=C/C(=O)O)\C(=O)O
- InChI
- InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
- InChIKey
- VZCYOOQTPOCHFL-OWOJBTEDSA-N
- PubChem CID
- 444972
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 Fumaric acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Fumaric 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.