Basic information
- CAS
1926-54-1- Standard SMILES
O=CCCC(=O)C(=O)O- InChIKey
VHKNBDIQDAXGBL-UHFFFAOYSA-N- Molecular formula
- C5H6O4
- Average molar mass
- 130.1 g/mol
- Monoisotopic mass
- 130.02660867
Overview
2,5-dioxopentanoic acid is an aldehyde and a dioxo monocarboxylic acid. It is functionally related to a valeric acid. It is a conjugate acid of a 2,5-dioxopentanoate.
Names & identifiers
- Preferred name
- 2,5-Dioxopentanoic acid
- IUPAC
- 2,5-dioxopentanoic acid
Names & synonyms
2,5-dioxopentanoic acid1926-54-1CHEBI:17415DTXSID90274273RefChem:82988DTXCID20225753Pentanoic acid, 2,5-dioxo-SCHEMBL60431AKOS006379790C00433Q27102385DO4
Database identifiers
- CAS
1926-54-1- PubChem CID
- 523
- DTXSID
DTXSID90274273- ChEBI
CHEBI:17415- EC Number
- 808-668-2
- Nikkaji
- J1.105.959G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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