Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
Basic information
- CAS
17310-94-0- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2CCC1O2- InChIKey
PRHAGQCZGSQKHR-UHFFFAOYSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
- IUPAC
- dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
- English name
- Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
- Molecular formula
- C10H12O5
- Molecular weight
- 212.2
Names & synonyms
Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate17310-94-0NSC196229CHEMBL3276055SCHEMBL31197030DTXSID80307903PRHAGQCZGSQKHR-UHFFFAOYSA-NNSC202983NSC-196229NSC-202983Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate #7-Oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid, dimethyl ester
Show more names
7-Oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid, 2,3-dimethyl ester
Database identifiers
- CAS
17310-94-0- PubChem CID
- 304403
- DTXSID
DTXSID80307903- ChEMBL
CHEMBL3276055- Nikkaji
- J1.200.098G
Properties
Computed structural properties
- XLogP
- 0
- 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
- 312
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 96 · 96-97 °C(Press: 0.25 Torr)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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