Basic information
- Standard SMILES
CCOC(=O)C=Cc1c(CO)cnc(C)c1O.Cl- InChIKey
DAATZRDCOOZPDG-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO4
- Average molar mass
- 273.71 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)acrylate hydrochloride
- IUPAC
- ethyl 3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]prop-2-enoate;hydrochloride
Names & synonyms
SCHEMBL9836549DAATZRDCOOZPDG-UHFFFAOYSA-Nethyl 3-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)acrylate hydrochloride
Database identifiers
- PubChem CID
- 67938271
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
2 records
Compound notes
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