2,3,4-Pentanetrione

HCID 136703

Notes Reactions

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Basic information

CAS: 921-11-9
Standard SMILES: CC(=O)C(=O)C(C)=O
InChIKey: MVDYEFQVZNBPPH-UHFFFAOYSA-N
Molecular formula: C5H6O3
Average molar mass: 114.1 g/mol
Monoisotopic mass: 114.03169405

Names & identifiers

Preferred name: 2,3,4-Pentanetrione
IUPAC: pentane-2,3,4-trione

Names & synonyms

2,3,4-Pentanetrione921-11-984GH569GKTNSC-150286DTXSID30238859NSC 150286RefChem:81298DTXCID30161350pentane-2,3,4-trioneCH3(CO)3CH32,4-PentanetrioneNSC150286

Show more names

UNII-84GH569GKTSCHEMBL556991MVDYEFQVZNBPPH-UHFFFAOYSA-NAKOS017514585

Database identifiers

CAS: 921-11-9
PubChem CID: 136703
DTXSID: DTXSID30238859
UNII: 84GH569GKT
Nikkaji: J313.380J

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 130

Related reactions

3 records

New reaction record

HRID 569461As reactantuspto-grants-1988_03

HRID 569462As reactantuspto-grants-1988_03

HRID 569463As reactantuspto-grants-1988_03

Compound notes

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