methyl (3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[d][1,3]oxazole-3a-carboxylate
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Basic information
- CAS
597540-50-6- Standard SMILES
COC(=O)[C@]12CCC[C@H]1OC(=O)N2- InChIKey
BDOLFSVCTHZMEA-XRGYYRRGSA-N- Molecular formula
- C8H11NO4
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.06880783
Names & identifiers
- Preferred name
- methyl (3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[d][1,3]oxazole-3a-carboxylate
- IUPAC
- methyl (3aS,6aR)-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[d][1,3]oxazole-3a-carboxylate
- English name
- 3aH-Cyclopentoxazole-3a-carboxylicacid,hexahydro-2-oxo-,methylester,(3aS,6aR)-(9CI)
- Molecular formula
- C8H11NO4
- Molecular weight
- 185.18
Names & synonyms
3aH-Cyclopentoxazole-3a-carboxylicacid,hexahydro-2-oxo-,methylester,(3aS,6aR)-(9CI)
Database identifiers
- CAS
597540-50-6- PubChem CID
- 11672792
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
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Compound notes
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