3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide
Basic information
- CAS
56918-22-0- Standard SMILES
COC1=C(C(=O)O)P(C)(=O)CC1- InChIKey
XCKPBBDLKWCKOQ-UHFFFAOYSA-N- Molecular formula
- C7H11O4P
- Average molar mass
- 190.13 g/mol
- Monoisotopic mass
- 190.03949583
Names & identifiers
- Preferred name
- 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide
- IUPAC
- 4-methoxy-1-methyl-1-oxo-2,3-dihydro-1λ5-phosphole-5-carboxylic acid
Names & synonyms
56918-22-0NSC191993NSC 1919933-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxideNSC-1919934-methoxy-1-methyl-1-oxo-2,3-dihydro-1$l^{5}-phosphole-5-carboxylic acid
Database identifiers
- CAS
56918-22-0- PubChem CID
- 303553
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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