Basic information
- CAS
292168-16-2- Standard SMILES
C=CCN1C(=O)NC(=O)C(=Cc2cccc(OCC(=O)O)c2)C1=O- InChIKey
HRRHSCRIUQRBNP-UHFFFAOYSA-N- Molecular formula
- C16H14N2O6
- Average molar mass
- 330.29 g/mol
Names & identifiers
- Preferred name
- 2-[3-[(2,4,6-Trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
- IUPAC
- 2-[3-[(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
- English name
- {3-[(1-allyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
- Molecular formula
- C16H14N2O6
- Molecular weight
- 330.29
Names & synonyms
{3-[(1-allyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
Database identifiers
- CAS
292168-16-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Density
- 1.405 · 1.405±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.108 · 3.108±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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