Basic information
- Standard SMILES
CCOC(=O)C(CC)P(=O)(O)O- InChIKey
HJGIKVGJRJOEOH-UHFFFAOYSA-N- Molecular formula
- C6H13O5P
- Average molar mass
- 196.14 g/mol
- Monoisotopic mass
- 196.05006051
Names & identifiers
- Preferred name
- Ethyl 2-phosphonobutanoate
- IUPAC
- (1-ethoxy-1-oxobutan-2-yl)phosphonic acid
Names & synonyms
ethyl 2-phosphonobutanoateSCHEMBL829655HJGIKVGJRJOEOH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21868151
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Related reactions
2 records
Compound notes
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