Basic information
- CAS
31517-37-0- Standard SMILES
COC(=O)C1C2C=CC(CC2)C1C(=O)OC- InChIKey
FPRGHVZMTXXTRC-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- Dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
- IUPAC
- dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
Names & synonyms
31517-37-0Dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylateNSC1499375160-98-5SCHEMBL11224786DTXSID00953502FPRGHVZMTXXTRC-UHFFFAOYSA-NNSC314539NSC-149937NSC-3145394545-84-0Dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate #
Show more names
Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid, dimethyl ester
Database identifiers
- CAS
31517-37-0、4545-84-0- PubChem CID
- 288658
- DTXSID
DTXSID00953502
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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