Diacetylcarbonsaure
Basic information
- CAS
108899-52-1- Standard SMILES
CC(=O)OC(=O)C(C)=O- InChIKey
OBTVATRSWTWNGS-UHFFFAOYSA-N- Molecular formula
- C5H6O4
- Average molar mass
- 130.1 g/mol
Names & identifiers
- Preferred name
- Diacetylcarbonsaure
- IUPAC
- acetyl 2-oxopropanoate
- English name
- Propanoic acid, 2-oxo-, anhydride with acetic acid (9CI)
- Molecular formula
- C5H6O4
- Molecular weight
- 130.09874
Names & synonyms
DiacetylcarbonsaureSCHEMBL633928Propanoic acid, 2-oxo-, anhydride with acetic acid (9CI)
Database identifiers
- CAS
108899-52-1
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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