Basic information
- CAS
19767-91-0- Standard SMILES
COc1cc(C(=O)COC(=O)c2cccnc2)ccc1O- InChIKey
FELGAPTYPKHPJC-UHFFFAOYSA-N- Molecular formula
- C15H13NO5
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.07937252
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester
- IUPAC
- [2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] pyridine-3-carboxylate
- English name
- 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl nicotinate
- Molecular formula
- C15H13NO5
- Molecular weight
- 287.27
Names & synonyms
19767-91-0Nicotinic acid, 2-ester with 2,4'-dihydroxy-3'-methoxyacetophenoneDTXSID301734583-Pyridinecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl esterRefChem:1068693DTXCID7095949243-286-42-(4-Hydroxy-3-methoxyphenyl)-2-oxoethyl nicotinate[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] pyridine-3-carboxylateBRN 0428610EINECS 243-286-4FELGAPTYPKHPJC-UHFFFAOYSA-N
Show more names
3-Pyridinecarboxylic acid 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester
alpha-Nicotinoyloxy-4-hydroxy-3-methoxyacetophenone876YPA462U2-(4-HYDROXY-3-METHOXYPHENYL)-2-OXOETHYL PYRIDINE-3-CARBOXYLATENS00026425Acetophenone, 2,4'-dihydroxy-3'-methoxy-, 2-nicotinate
Database identifiers
- CAS
19767-91-0- PubChem CID
- 88231
- DTXSID
DTXSID30173458
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…