Basic information
- CAS
19251-71-9- Standard SMILES
Cc1ccccc1OCC(COC(=O)c1cccnc1)OC(=O)c1cccnc1- InChIKey
SJWNXTHLFBNQEY-UHFFFAOYSA-N- Molecular formula
- C22H20N2O5
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.13722174
Names & identifiers
- Preferred name
- 3-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylate
- IUPAC
- [3-(2-methylphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate
Names & synonyms
19251-71-9DTXSID809409153-(2-Methylphenoxy)propane-1,2-diyl dipyridine-3-carboxylateRefChem:1066552DTXCID8013693683-(o-Tolyloxy)-1,2-propanediol dinicotinateMephenesin dinicotinateBRN 04543863-Pyridinecarboxylic acid, 1-((2-methylphenoxy)methyl)-1,2-ethanediyl esterNICOTINIC ACID, ((o-TOLYLOXY)METHYL)ETHYLENE ESTER
Database identifiers
- CAS
19251-71-9- PubChem CID
- 29522
- DTXSID
DTXSID80940915
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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