Basic information
- CAS
497-16-5- Standard SMILES
O=CC(=O)C=O- InChIKey
ICQNCHSXWNQIHC-UHFFFAOYSA-N- Molecular formula
- C3H2O3
- Average molar mass
- 86.05 g/mol
- Monoisotopic mass
- 86.00039392
Names & identifiers
- Preferred name
- 2-Oxopropanedial
- IUPAC
- 2-oxopropanedial
- English name
- Propanedial, 2-oxo-
- Molecular formula
- C3H2O3
- Molecular weight
- 86.05
Names & synonyms
OxopropanedialMESOXALALDEHYDE1,2,3-PropanetrionePropanedial, oxo-497-16-54MZR13E244DTXSID301979722-oxopropanedialRefChem:1064058DTXCID90120463OxomalonaldehydeMesoxaldialdehyde
Show more names
Propanedial, 2-oxo-2-oxopropylene glycol
2-OxomalonaldehydeBRN 1719796formyl ketoneUNII-4MZR13E244SCHEMBL29713SCHEMBL9251022SCHEMBL11829596AKOS015855812
Database identifiers
- CAS
497-16-5- PubChem CID
- 10339
- DTXSID
DTXSID30197972- UNII
- 4MZR13E244
- Nikkaji
- J535.574E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 74
Physicochemical properties
- Boiling point
- 176.3 · 176.3±23.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- Melting point
- 297 °C · 297 °C
- FDA UNII
- 4 MZR13E244 · 4MZR13E244
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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