Basic information
- CAS
66621-86-1- Standard SMILES
COc1cc(OC)nc(CC(=O)O)n1- InChIKey
VSESBYPJTBMGJK-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
Names & identifiers
- Preferred name
- 2-(4,6-Dimethoxypyrimidin-2-yl)acetic acid
- IUPAC
- 2-(4,6-dimethoxypyrimidin-2-yl)acetic acid
- English name
- 2-Pyrimidineacetic acid, 4,6-dimethoxy- (9CI)
- Molecular formula
- C8H10N2O4
- Molecular weight
- 198.18
Names & synonyms
66621-86-12-(4,6-dimethoxypyrimidin-2-yl)acetic acidSCHEMBL7013448CHEMBL5487172VSESBYPJTBMGJK-UHFFFAOYSA-N(4,6-dimethoxypyrimidin-2-yl)acetic acid2-(4,6-dimethoxypyrimidin-2-yl)aceticacidDB-3461112-Pyrimidineacetic acid, 4,6-dimethoxy-(4,6-dimethoxy-pyrimidin-2-yl)-acetic acid2-Pyrimidineacetic acid, 4,6-dimethoxy- (9CI)
Database identifiers
- CAS
66621-86-1- ChEMBL
CHEMBL5487172
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 175 · 175-177 °C
- Boiling point
- 372.5 · 372.5±32.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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