Basic information
- CAS
64154-83-2- Standard SMILES
CC(=O)N1NC(=O)CC1C(=O)O- InChIKey
GACCTAIHWWQLTK-UHFFFAOYSA-N- Molecular formula
- C6H8N2O4
- Average molar mass
- 172.14 g/mol
- Monoisotopic mass
- 172.04840674
Names & identifiers
- Preferred name
- 2-Acetyl-5-oxopyrazolidine-3-carboxylic acid
- IUPAC
- 2-acetyl-5-oxopyrazolidine-3-carboxylic acid
Names & synonyms
2-Acetyl-5-oxopyrazolidine-3-carboxylic acid64154-83-2DTXSID70495308
Database identifiers
- CAS
64154-83-2- PubChem CID
- 12378860
- DTXSID
DTXSID70495308
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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