Basic information
- CAS
166739-14-6- Standard SMILES
CC(C)(C)OC(=O)COCc1cccnc1- InChIKey
VZASOSIXMJNLAI-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 2-(3-pyridinylmethoxy)acetate
- IUPAC
- tert-butyl 2-(pyridin-3-ylmethoxy)acetate
Names & synonyms
166739-14-61,1-Dimethylethyl 2-(3-pyridinylmethoxy)acetateRefChem:213846SCHEMBL1902114VZASOSIXMJNLAI-UHFFFAOYSA-NDTXSID001243134tert-butyl (3-pyridylmethoxy)acetatetert-butyl(pyridin-3-yl)methoxyacetatetert-butyl (pyridin-3-yl)methoxyacetatetert-Butyl [(pyridin-3-yl)methoxy]acetate
Database identifiers
- CAS
166739-14-6- PubChem CID
- 24763528
- DTXSID
DTXSID001243134
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
17 records
Compound notes
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