Basic information
- CAS
6307-16-0- Standard SMILES
N#CC1(CCC(=O)O)CCC(=O)O1- InChIKey
JNBDCWUUYHASGX-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid
- IUPAC
- 3-(2-cyano-5-oxooxolan-2-yl)propanoic acid
Names & synonyms
3-(2-cyano-5-oxotetrahydrofuran-2-yl)propanoic acid6307-16-03-(2-cyano-5-oxooxolan-2-yl)propanoic acidNSC41091DTXSID40285218NSC-41091
Database identifiers
- CAS
6307-16-0- PubChem CID
- 237486
- DTXSID
DTXSID40285218
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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