Benzoic acid, 2-hydroxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester
Basic information
- CAS
55798-61-3- Standard SMILES
CCC1(CC)C(=O)NC=C(COC(=O)c2ccccc2O)C1=O- InChIKey
JPGZVCJOEUQNOE-UHFFFAOYSA-N- Molecular formula
- C17H19NO5
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.12632271
Names & identifiers
- Preferred name
- Benzoic acid, 2-hydroxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester
- IUPAC
- (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-hydroxybenzoate
Names & synonyms
Benzoic acid, 2-hydroxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester55798-61-33,3-Diethyl-5-(2-hydroxybenzoyloxymethyl)-2,4-pyridinedioneDTXSID702043762-Hydroxybenzoic acid (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl esterRefChem:326869DTXCID70126867(5,5-Diethyl-4,6-dioxo-1,4,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxybenzoate
Database identifiers
- CAS
55798-61-3- PubChem CID
- 41630
- DTXSID
DTXSID70204376
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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