4-Pyrimidinemethanol, 2-methoxy-, 4-benzoate
Basic information
- CAS
102921-93-7- Standard SMILES
COc1nccc(COC(=O)c2ccccc2)n1- InChIKey
HZOWFASRNZZKMI-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- 4-Pyrimidinemethanol, 2-methoxy-, 4-benzoate
- IUPAC
- (2-methoxypyrimidin-4-yl)methyl benzoate
Names & synonyms
4-Pyrimidinemethanol, 2-methoxy-, 4-benzoateDTXSID301259663(2-methoxypyrimidin-4-yl)methyl benzoate102921-93-7
Database identifiers
- CAS
102921-93-7- PubChem CID
- 53904697
- DTXSID
DTXSID301259663
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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