Basic information
- CAS
65709-14-0- Standard SMILES
Cn1c(=O)c2c(CCCC(=O)O)onc2n(C)c1=O- InChIKey
JWBHJSIJOWUHRR-UHFFFAOYSA-N- Molecular formula
- C11H13N3O5
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.08552052
Names & identifiers
- Preferred name
- 4-(5,7-Dimethyl-4,6-dioxo-4,5,6,7-tetrahydro[1,2]oxazolo[3,4-d]pyrimidin-3-yl)butanoic acid
- IUPAC
- 4-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)butanoic acid
Names & synonyms
65709-14-04-(5,7-Dimethyl-4,6-dioxo-4,5,6,7-tetrahydroisoxazolo[3,4-d]pyrimidin-3-yl)butanoic acidNSC304386DTXSID80316530NSC-3043864-(5,7-Dimethyl-4,6-dioxo-4,5,6,7-tetrahydro[1,2]oxazolo[3,4-d]pyrimidin-3-yl)butanoic acid
Database identifiers
- CAS
65709-14-0- PubChem CID
- 327779
- DTXSID
DTXSID80316530
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…