Methyl 2-hydroxy-3-(pyridin-4-yl)propanoate
Basic information
- CAS
1181600-72-5- Standard SMILES
COC(=O)C(O)Cc1ccncc1- InChIKey
LNMQVURJHSDBLR-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- Methyl 2-hydroxy-3-(pyridin-4-yl)propanoate
- IUPAC
- methyl 2-hydroxy-3-pyridin-4-ylpropanoate
Names & synonyms
Methyl 2-hydroxy-3-(pyridin-4-yl)propanoate1181600-72-5methyl 2-hydroxy-3-pyridin-4-ylpropanoateDTXSID401287625AKOS014320429Methyl I+/--hydroxy-4-pyridinepropanoateMethyl2-hydroxy-3-(pyridin-4-yl)propanoateEN300-249064
Database identifiers
- CAS
1181600-72-5- PubChem CID
- 64989201
- DTXSID
DTXSID401287625
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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