Basic information
- CAS
773133-91-8- Standard SMILES
CC(C)(C)C(=O)OCc1ncnc2nc[nH]c12- InChIKey
XHKZBYVTLDTZSV-UHFFFAOYSA-N- Molecular formula
- C11H14N4O2
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.1116757
Names & identifiers
- Preferred name
- 9H-Purin-6-ylmethyl 2,2-dimethylpropanoate
- IUPAC
- 7H-purin-6-ylmethyl 2,2-dimethylpropanoate
Names & synonyms
9H-Purin-6-ylmethyl 2,2-dimethylpropanoate773133-91-8RefChem:313560DTXSID901264812(7H-Purin-6-yl)methyl 2,2-dimethylpropanoate
Database identifiers
- CAS
773133-91-8- PubChem CID
- 11447647
- DTXSID
DTXSID901264812
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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