3-Pyridinecarboxylic acid, 2-hydroxy-3-(2-methoxyphenoxy)propyl ester
Basic information
- CAS
20026-81-7- Standard SMILES
COc1ccccc1OCC(O)COC(=O)c1cccnc1- InChIKey
KEILUTHWAVRVQU-UHFFFAOYSA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.11067264
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2-hydroxy-3-(2-methoxyphenoxy)propyl ester
- IUPAC
- [2-hydroxy-3-(2-methoxyphenoxy)propyl] pyridine-3-carboxylate
Names & synonyms
20026-81-73-Pyridinecarboxylic acid, 2-hydroxy-3-(2-methoxyphenoxy)propyl esterRefChem:1068696Guaiacol glyceryl ether mononicotinateNicotinic acid, 2-hydroxy-3-(o-methoxyphenoxy)propyl ester3-(O-Methoxyphenoxy)-2-hydroxypropyl nicotinate1,2-Propanediol, 3-(o-methoxyphenoxy)-, 1-nicotinate25395-41-9Methoxyphenoxy hydroxypropyl nicotinate2-Hydroxy-3-(o-methoxyphenoxy)propyl nicotinate3-(o-Methoxyphenoxy)-2-hydroxypropyl-1-nicotinateNICOTINIC ACID, MONOESTER with 3-(o-METHOXYPHENOXY)-1,2-PROPANEDIOL
Show more names
DTXSID609482522-HYDROXY-3-(2-METHOXYPHENOXY)PROPYL PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
20026-81-7、25395-41-9- PubChem CID
- 32949
- DTXSID
DTXSID60948252
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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