2-Methyl 5-phosphono-1H-indole-2-carboxylate
Basic information
- CAS
284660-87-3- Standard SMILES
COC(=O)c1cc2cc(P(=O)(O)O)ccc2[nH]1- InChIKey
DQBOONRDPUXTOZ-UHFFFAOYSA-N- Molecular formula
- C10H10NO5P
- Average molar mass
- 255.16 g/mol
- Monoisotopic mass
- 255.02965942
Names & identifiers
- Preferred name
- 2-Methyl 5-phosphono-1H-indole-2-carboxylate
- IUPAC
- (2-methoxycarbonyl-1H-indol-5-yl)phosphonic acid
Names & synonyms
2-Methyl 5-phosphono-1H-indole-2-carboxylate284660-87-3SCHEMBL2735978DTXSID701257257DB-423528[2-(Methoxycarbonyl)-1H-indol-5-yl]phosphonic acid
Database identifiers
- CAS
284660-87-3- PubChem CID
- 21014348
- DTXSID
DTXSID701257257
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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