Phosphinecarboxylic acid, ((2,3-dihydro-1H-inden-5-yl)oxy)ethoxy-, methyl ester, oxide
Basic information
- CAS
72304-88-2- Standard SMILES
CCOP(=O)(Oc1ccc2c(c1)CCC2)C(=O)OC- InChIKey
KDCMDOOYQRICDI-UHFFFAOYSA-N- Molecular formula
- C13H17O5P
- Average molar mass
- 284.24 g/mol
- Monoisotopic mass
- 284.08136064
Names & identifiers
- Preferred name
- Phosphinecarboxylic acid, ((2,3-dihydro-1H-inden-5-yl)oxy)ethoxy-, methyl ester, oxide
- IUPAC
- methyl [2,3-dihydro-1H-inden-5-yloxy(ethoxy)phosphoryl]formate
Names & synonyms
72304-88-2CHEMBL90370Phosphinecarboxylic acid, ((2,3-dihydro-1H-inden-5-yl)oxy)ethoxy-, methyl ester, oxidePhosphinecarboxylic acid, [(2,3-dihydro-1H-inden-5-yl)oxy]ethoxy-, methyl ester, oxideSCHEMBL10894035DTXSID10993090BDBM50027567methyl [ethoxy(indan-5-yloxy)phosphoryl]formatemethyl (2,3-dihydro-1H-inden-5-yloxy)(ethoxy)phosphinecarboxylate oxideMethyl [(2,3-dihydro-1H-inden-5-yl)oxy](ethoxy)(oxo)-lambda~5~-phosphanecarboxylateMethyl [(2,3-dihydro-1H-inden-5-yl)oxy](ethoxy)oxo-lambda~5~-phosphanecarboxylate
Database identifiers
- CAS
72304-88-2- PubChem CID
- 512124
- DTXSID
DTXSID10993090- ChEMBL
CHEMBL90370
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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