1-Methyl-1-oxo-4,5-dihydro-1H-1lambda~5~-phosphole-2-carboxylic acid
Basic information
- CAS
36163-70-9- Standard SMILES
CP1(=O)CCC=C1C(=O)O- InChIKey
RDCOXSIGVSHKOJ-UHFFFAOYSA-N- Molecular formula
- C6H9O3P
- Average molar mass
- 160.11 g/mol
- Monoisotopic mass
- 160.02893114
Names & identifiers
- Preferred name
- 1-Methyl-1-oxo-4,5-dihydro-1H-1lambda~5~-phosphole-2-carboxylic acid
- IUPAC
- 1-methyl-1-oxo-2,3-dihydro-1λ5-phosphole-5-carboxylic acid
Names & synonyms
36163-70-9DTXSID303027061-Methyl-1-oxo-4,5-dihydro-1H-1lambda~5~-phosphole-2-carboxylic acidRefChem:231450DTXCID30253840NSC152789NSC-1527891-Methyl-1-oxo-4,5-dihydro-1H-1I>>5-phosphole-2-carboxylic acid
Database identifiers
- CAS
36163-70-9- PubChem CID
- 290140
- DTXSID
DTXSID30302706
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
SpringerMaterials Properties31P nuclear magnetic resonance spectrum
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Compound notes
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