Basic information
- CAS
926-61-4- Standard SMILES
O=CCC(=O)O- InChIKey
OAKURXIZZOAYBC-UHFFFAOYSA-N- Molecular formula
- C3H4O3
- Average molar mass
- 88.06 g/mol
- Monoisotopic mass
- 88.01604399
Overview
3-oxopropanoic acid is an aldehydic acid. It is functionally related to a propionic acid. It is a conjugate acid of a 3-oxopropanoate.
Names & identifiers
- Preferred name
- 3-Oxopropanoic acid
- IUPAC
- 3-oxopropanoic acid
- English name
- 3-oxopropanoic acid
- Molecular formula
- C3H4O3
- Molecular weight
- 88.06
Names & synonyms
3-oxopropanoic acid926-61-4Malonic semialdehydePropanoic acid, 3-oxo-9K1T0U0R4CYTR 830H-IIICHEBI:17960DTXSID90239064RefChem:155448DTXCID10161555formylacetic acid3-Oxopropionic acid
Show more names
3-Ketopropanoate3-oxopropanoicaci2-Formylacetic acidMalonatesemialdehydeNorepinephrine Impurity 22
Malonaldehydic acid3-oxidanylidenepropanoic acid3-oxopropanoicacidformyl acetic acidUNII-9K1T0U0R4CFK23-oxo-propionic acidNorepinephrine Impurity 47
Database identifiers
- CAS
926-61-4- PubChem CID
- 868
- DTXSID
DTXSID90239064- ChEBI
CHEBI:17960- UNII
- 9K1T0U0R4C
- Nikkaji
- J7.174I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 66.4
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 237.3 · 237.3±23.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
- Henry's Law Constant
- 1 · 1.0×104 mol/(m3Pa) at 25℃, Wang et al. (2017)
- FDA UNII
- 9 K1T0U0R4C · 9K1T0U0R4C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolite PathwaysAspartate Metabolism
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers18 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
广东元丰化学试剂有限公司
Related reactions
3 records
Compound notes
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