7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)-
Basic information
- CAS
1984-43-6- Standard SMILES
COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H]2C=C[C@@H]1O2- InChIKey
JYJBURATEMWQOS-KVFPUHGPSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- 7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)-
- IUPAC
- dimethyl (1S,2R,3S,4R)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Names & synonyms
NSC 1962277-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)-1984-43-6RefChem:311180SCHEMBL2005428
Database identifiers
- CAS
1984-43-6- PubChem CID
- 99205
- Nikkaji
- J944.853E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
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