Basic information
- CAS
2480-77-5- Standard SMILES
O=CC(O)C(=O)O- InChIKey
QWBAFPFNGRFSFB-UHFFFAOYSA-N- Molecular formula
- C3H4O4
- Average molar mass
- 104.06 g/mol
- Monoisotopic mass
- 104.0109586
Overview
2-hydroxy-3-oxopropanoic acid is an aldehyde, a 3-oxo monocarboxylic acid and a 2-hydroxy monocarboxylic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a 2-hydroxy-3-oxopropanoate.
Names & identifiers
- Preferred name
- Tartronate semialdehyde
- IUPAC
- 2-hydroxy-3-oxopropanoic acid
Names & synonyms
2-hydroxy-3-oxopropanoic acidtartronate semialdehyde2480-77-5hydroxymalonaldehydic acidtartronic semialdehydeCHEBI:16992RefChem:187465Propanoic acid, 2-hydroxy-3-oxo-tartronate-S-aldTartronyl semialdehydeFormyl(hydroxyl)acetic acidTriadimenol metabolite P05
Show more names
SCHEMBL284876SCHEMBL6445294SCHEMBL9678213SCHEMBL27548115AKOS006381250NS00067816C01146Q15732146
Database identifiers
- CAS
2480-77-5- PubChem CID
- 1122
- ChEBI
CHEBI:16992- Nikkaji
- J1.397.673B
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 86.9
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionSolid
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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